Research chemical
CAS Number: 2769715-68-4
![(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane molecular structure, CAS 2769715-68-4](/structure-images/2769715-68-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
164514234
Exact Mass
592.30227
InChIKey
WWLFWVFVYAPDGW-YPAWHYETSA-N
SMILES String
COc1ccncc1-c1cc2c(cnn2-c2cc3c(nc(N4CCN5CCC[C@@H]5C4)n3C)c(N3C[C@H]4C[C@@H]3CO4)n2)c(C)n1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane is identified by CAS 2769715-68-4, with molecular formula C32H36N10O2, molecular weight 592.7, InChIKey WWLFWVFVYAPDGW-YPAWHYETSA-N.
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Heavy atom count
44
H-bond acceptors
12
H-bond donors
0
Rotatable bonds
5
Ring count
9
Aromatic rings
5
Topological polar surface area
102.49 Ų
Computed LogP
3.34
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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.
Structural features
(1R,4R)-5-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-6-[6-(4-methoxy-3-pyridinyl)-4-methylpyrazolo[4,3-c]pyridin-1-yl]-1-methylimidazo[4,5-c]pyridin-4-yl]-2-oxa-5-azabicyclo[2. 2.
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.
Documentation needs
Review supplier documentation before handling; for research use only.
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