3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide

C27H21ClN10O — CID 155406294

IUPAC3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide
SMILESCn1cc(-c2cc(-c3cnc(N4C[C@@H]5C(NC(=O)c6ncccc6Cl)[C@@H]5C4)cn3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C27H21ClN10O/c1-36-11-17(8-33-36)15-5-18(26-16(6-29)7-34-38(26)12-15)22-9-32-23(10-31-22)37-13-19-20(14-37)24(19)35-27(39)25-21(28)3-2-4-30-25/h2-5,7-12,19-20,24H,13-14H2,1H3,(H,35,39)/t19-,20+,24?
InChIKeyXXBMPTMFUKKTNM-VXMMSVGHSA-N
MW536.99 g/mol
LogP2.98
Rot. Bonds5

About 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide

3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide (PubChem CID 155406294) has the molecular formula C27H21ClN10O and a molecular weight of 536.99 g/mol. Its IUPAC name is 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide
PubChem CID155406294
Molecular FormulaC27H21ClN10O
Molecular Weight536.99 g/mol
Exact Mass536.16
IUPAC Name3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide
SMILESCn1cc(-c2cc(-c3cnc(N4C[C@@H]5C(NC(=O)c6ncccc6Cl)[C@@H]5C4)cn3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C27H21ClN10O/c1-36-11-17(8-33-36)15-5-18(26-16(6-29)7-34-38(26)12-15)22-9-32-23(10-31-22)37-13-19-20(14-37)24(19)35-27(39)25-21(28)3-2-4-30-25/h2-5,7-12,19-20,24H,13-14H2,1H3,(H,35,39)/t19-,20+,24?
InChIKeyXXBMPTMFUKKTNM-VXMMSVGHSA-N
XLogP2.98
TPSA129.92 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.99
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide (CID 155406294) is 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide is Cn1cc(-c2cc(-c3cnc(N4C[C@@H]5C(NC(=O)c6ncccc6Cl)[C@@H]5C4)cn3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide?
The InChIKey is XXBMPTMFUKKTNM-VXMMSVGHSA-N. The full InChI is InChI=1S/C27H21ClN10O/c1-36-11-17(8-33-36)15-5-18(26-16(6-29)7-34-38(26)12-15)22-9-32-23(10-31-22)37-13-19-20(14-37)24(19)35-27(39)25-21(28)3-2-4-30-25/h2-5,7-12,19-20,24H,13-14H2,1H3,(H,35,39)/t19-,20+,24?.
What are the key properties of 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide?
3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide has a molecular weight of 536.99 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrazin-2-yl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155406294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).