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2-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

CAS 1018125-49-9Formula C14H14F3N3O2MW 313.27PubChem 25247856

This compound is a complex organic molecule featuring a pyrazolo[3,4-b]pyridine core substituted with cyclopropyl, ethyl, and trifluoromethyl groups, and an acetic acid moiety. It is primarily intended for research and development applications.

Loading RDKit molecule structure...
InChIKey: LQYSIDBOBXQTPN-UHFFFAOYSA-NC14H14F3N3O2 | MW 313.27

Chemical Identity

Molecular Formula

C14H14F3N3O2

Molecular Weight

313.27 g/mol

Exact Mass

313.103811

PubChem CID

25247856

IUPAC Name

2-[3-cyclopropyl-6-ethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid

SMILES String

CCc1cc(C(F)(F)F)c2c(C3CC3)nn(CC(=O)O)c2n1

Names & Synonyms

[3-cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid2-[3-cyclopropyl-6-ethyl-4-(trifluoromethyl)-1h-pyrazolo[3,4-b]pyridin-1-yl]acetic acid2-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)aceticacid2-[3-cyclopropyl-6-ethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridinyl]acetic ac id
External Identifiers
MFCD09701834TQB12549SBB025314STK352259AKOS005167868CCG-357321CS-0241162EN300-231673

Catalog Overview

2-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid is a synthetic organic compound with the molecular formula C14H14F3N3O2 and a molecular weight of 313. 27 g/mol. Its structure includes a bicyclic pyrazolo[3,4-b]pyridine system, which is a nitrogen-containing heterocyclic scaffold often found in biologically active molecules. Key substituents include a cyclopropyl ring, an ethyl group, and a trifluoromethyl group, which can influence its physicochemical properties and potential interactions.

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

2-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid is a synthetic organic compound with the molecular formula C14H14F3N3O2 and a molecular weight of 313.27 g/mol. Its structure includes a bicyclic pyrazolo[3,4-b]pyridine system, which is a nitrogen-containing heterocyclic scaffold often found in biologically active molecules. Key substituents include a cyclopropyl ring, an ethyl group, and a trifluoromethyl group, which can influence its physicochemical properties and potential interactions. An acetic acid functional group is attached to the pyrazole nitrogen, providing a carboxylic acid moiety that can participate in various chemical reactions or biological interactions. This compound is classified within the 'druglike_bioactive_like' structural bucket, suggesting its potential utility in medicinal chemistry research, medicinal chemistry research, or as a building block for more complex chemical entities. It is strictly for Research Use Only (RUO).

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline powder

Physical State

Solid

Melting Point

165.0 °C

Boiling Point

450.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

250.0 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment (PPE), including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Store in a cool, dry place, away from incompatible materials. Consult the Safety Data Sheet (SDS) for comprehensive safety information before handling. This product is for Research Use Only and not for human or animal therapeutic or diagnostic use.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

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