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

C29H24ClN9O — CID 155406126

IUPAC3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylpyridine-2-carboxamide
SMILESCc1ccc(Cl)c(C(=O)NC2[C@H]3CN(c4ccc(-c5cc(-c6cnn(C)c6)cn6ncc(C#N)c56)cn4)C[C@@H]23)n1
InChIInChI=1S/C29H24ClN9O/c1-16-3-5-24(30)27(35-16)29(40)36-26-22-14-38(15-23(22)26)25-6-4-17(9-32-25)21-7-18(20-11-33-37(2)12-20)13-39-28(21)19(8-31)10-34-39/h3-7,9-13,22-23,26H,14-15H2,1-2H3,(H,36,40)/t22-,23+,26?
InChIKeyAEIINXWGYYTORV-XZQOPNAISA-N
MW550.03 g/mol
LogP3.89
Rot. Bonds5

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

3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylpyridine-2-carboxamide (PubChem CID 155406126) has the molecular formula C29H24ClN9O and a molecular weight of 550.03 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]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylpyridine-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]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylpyridine-2-carboxamide
PubChem CID155406126
Molecular FormulaC29H24ClN9O
Molecular Weight550.03 g/mol
Exact Mass549.18
IUPAC Name3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylpyridine-2-carboxamide
SMILESCc1ccc(Cl)c(C(=O)NC2[C@H]3CN(c4ccc(-c5cc(-c6cnn(C)c6)cn6ncc(C#N)c56)cn4)C[C@@H]23)n1
InChIInChI=1S/C29H24ClN9O/c1-16-3-5-24(30)27(35-16)29(40)36-26-22-14-38(15-23(22)26)25-6-4-17(9-32-25)21-7-18(20-11-33-37(2)12-20)13-39-28(21)19(8-31)10-34-39/h3-7,9-13,22-23,26H,14-15H2,1-2H3,(H,36,40)/t22-,23+,26?
InChIKeyAEIINXWGYYTORV-XZQOPNAISA-N
XLogP3.89
TPSA117.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.03
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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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]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylpyridine-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]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylpyridine-2-carboxamide (CID 155406126) is 3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylpyridine-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]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylpyridine-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]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylpyridine-2-carboxamide is Cc1ccc(Cl)c(C(=O)NC2[C@H]3CN(c4ccc(-c5cc(-c6cnn(C)c6)cn6ncc(C#N)c56)cn4)C[C@@H]23)n1.
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]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is AEIINXWGYYTORV-XZQOPNAISA-N. The full InChI is InChI=1S/C29H24ClN9O/c1-16-3-5-24(30)27(35-16)29(40)36-26-22-14-38(15-23(22)26)25-6-4-17(9-32-25)21-7-18(20-11-33-37(2)12-20)13-39-28(21)19(8-31)10-34-39/h3-7,9-13,22-23,26H,14-15H2,1-2H3,(H,36,40)/t22-,23+,26?.
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]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylpyridine-2-carboxamide?
3-chloro-N-[(1R,5S)-3-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 550.03 g/mol, XLogP of 3.89, 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-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 155406126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).