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Research chemical

N-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

CAS Number: 1105252-51-4

Chemical structure
N-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine molecular structure, CAS 1105252-51-4

Product details

Identity & specification

Molecular formula
C16H18FN7
Molecular weight
327.36 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request

For laboratory research and professional procurement workflows.

Technical identifiers

Show PubChem, InChIKey, IUPAC, and SMILES

PubChem CID

30859353

Exact Mass

327.160772

InChIKey

KYVNAKFDWJNJRZ-UHFFFAOYSA-N

IUPAC Name

N-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

SMILES String

CN1CCN(c2nc(Nc3ccc(F)cc3)c3cn[nH]c3n2)CC1

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Computed Structure Descriptors

Show calculated structure fields

Heavy atom count

24

H-bond acceptors

7

H-bond donors

2

Rotatable bonds

3

Ring count

4

Aromatic rings

3

Topological polar surface area

72.97 Ų

Computed LogP

1.99

Fragment-like structure rule

No

Lead-like structure rule

Yes

Drug-like structure rule

Yes

Structure family

n heterocycle ligand

Precious metal motif

No

Transition metal motif

No

Phosphine ligand motif

No

N-heterocycle motif

Yes

Boronic acid motif

No

Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.

Catalog Facts

Structural features

N-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS 1105252-51-4) is maintained as a commercial cas reference with formula C16H18FN7, molecular weight 327. 36 g/mol, PubChem CID 30859353.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, lead-like structure profile, drug-like rule profile.

Documentation needs

Review supplier documentation before handling; for research use only.

Applications & Classification

Commercial Research ChemicalsHeterocyclic Building BlocksResearch intermediateCustom synthesis building blockResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: 5-hydroxytryptamine receptor 2A (Homo sapiens) — 2 assays; 5-hydroxytryptamine receptor 2C (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

5-hydroxytryptamine receptor 2A

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 7.62

Experimental evidence source: ChEMBL

5-hydroxytryptamine receptor 2C

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 7.07

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Catalog navigation

Related Catalog Entries

Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.

Structure similarity4-(4-Fluorophenyl)-1-[(5-methoxy-4,6-dimethyl-pyridin-2-yl)methyl]-1H-1,2,3-triazol-5-amineView related compound →Structure similarity2-(4-Fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acidView related compound →Structure similarityN-[(4-fluorophenyl)methyl]-2-(phenylamino)-1,3-thiazole-4-carboxamideView related compound →Structure similarityethyl 6-ethyl-1-(2-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylateView related compound →Structure similarity2-[3-(2-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]-N-(2-furylmethyl)acetamideView related compound →

Procurement questions

What are the key identifiers for N-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine (CAS 1105252-51-4)?

N-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine is identified by CAS 1105252-51-4, with molecular formula C16H18FN7, molecular weight 327.36, InChIKey KYVNAKFDWJNJRZ-UHFFFAOYSA-N.

Does CAS 1105252-51-4 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with 5-hydroxytryptamine receptor 2A, 5-hydroxytryptamine receptor 2C. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 1105252-51-4?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for N-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine?

Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.

Is CAS 1105252-51-4 available for quotation?

Availability, pack size, lead time, and pricing are confirmed through RFQ.

Can MolGraph support bulk sourcing or custom synthesis review?

Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.