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

C28H22ClN9O — CID 155406272

IUPAC3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide
SMILESCn1ccc(-c2cc(-c3ccc(N4C[C@@H]5C(NC(=O)c6ncccc6Cl)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)n1
InChIInChI=1S/C28H22ClN9O/c1-36-8-6-23(35-36)17-9-19(27-18(10-30)12-33-38(27)13-17)16-4-5-24(32-11-16)37-14-20-21(15-37)25(20)34-28(39)26-22(29)3-2-7-31-26/h2-9,11-13,20-21,25H,14-15H2,1H3,(H,34,39)/t20-,21+,25?
InChIKeyDBGWLXFBMUYWDC-KEVCNVLYSA-N
MW536.00 g/mol
LogP3.58
Rot. Bonds5

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

3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide (PubChem CID 155406272) has the molecular formula C28H22ClN9O and a molecular weight of 536.00 g/mol. Its IUPAC name is 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-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-3-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide
PubChem CID155406272
Molecular FormulaC28H22ClN9O
Molecular Weight536.00 g/mol
Exact Mass535.16
IUPAC Name3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide
SMILESCn1ccc(-c2cc(-c3ccc(N4C[C@@H]5C(NC(=O)c6ncccc6Cl)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)n1
InChIInChI=1S/C28H22ClN9O/c1-36-8-6-23(35-36)17-9-19(27-18(10-30)12-33-38(27)13-17)16-4-5-24(32-11-16)37-14-20-21(15-37)25(20)34-28(39)26-22(29)3-2-7-31-26/h2-9,11-13,20-21,25H,14-15H2,1H3,(H,34,39)/t20-,21+,25?
InChIKeyDBGWLXFBMUYWDC-KEVCNVLYSA-N
XLogP3.58
TPSA117.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.00
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-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-3-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-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-3-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide (CID 155406272) is 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-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-3-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-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-3-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide is Cn1ccc(-c2cc(-c3ccc(N4C[C@@H]5C(NC(=O)c6ncccc6Cl)[C@@H]5C4)nc3)c3c(C#N)cnn3c2)n1.
What is the InChIKey of 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide?
The InChIKey is DBGWLXFBMUYWDC-KEVCNVLYSA-N. The full InChI is InChI=1S/C28H22ClN9O/c1-36-8-6-23(35-36)17-9-19(27-18(10-30)12-33-38(27)13-17)16-4-5-24(32-11-16)37-14-20-21(15-37)25(20)34-28(39)26-22(29)3-2-7-31-26/h2-9,11-13,20-21,25H,14-15H2,1H3,(H,34,39)/t20-,21+,25?.
What are the key properties of 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide?
3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide has a molecular weight of 536.00 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 155406272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).