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]methyl]-6-methylpyridine-2-carboxamide

C30H26ClN9O — CID 155406363

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]methyl]-6-methylpyridine-2-carboxamide
SMILESCc1ccc(Cl)c(C(=O)NCC2[C@H]3CN(c4ccc(-c5cc(-c6cnn(C)c6)cn6ncc(C#N)c56)cn4)C[C@@H]23)n1
InChIInChI=1S/C30H26ClN9O/c1-17-3-5-26(31)28(37-17)30(41)34-12-23-24-15-39(16-25(23)24)27-6-4-18(9-33-27)22-7-19(21-11-35-38(2)13-21)14-40-29(22)20(8-32)10-36-40/h3-7,9-11,13-14,23-25H,12,15-16H2,1-2H3,(H,34,41)/t23?,24-,25+
InChIKeyWXGVTEGEAWBQNO-QILAJZQNSA-N
MW564.05 g/mol
LogP4.14
Rot. Bonds6

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]methyl]-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]methyl]-6-methylpyridine-2-carboxamide (PubChem CID 155406363) has the molecular formula C30H26ClN9O and a molecular weight of 564.05 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]methyl]-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]methyl]-6-methylpyridine-2-carboxamide
PubChem CID155406363
Molecular FormulaC30H26ClN9O
Molecular Weight564.05 g/mol
Exact Mass563.19
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]methyl]-6-methylpyridine-2-carboxamide
SMILESCc1ccc(Cl)c(C(=O)NCC2[C@H]3CN(c4ccc(-c5cc(-c6cnn(C)c6)cn6ncc(C#N)c56)cn4)C[C@@H]23)n1
InChIInChI=1S/C30H26ClN9O/c1-17-3-5-26(31)28(37-17)30(41)34-12-23-24-15-39(16-25(23)24)27-6-4-18(9-33-27)22-7-19(21-11-35-38(2)13-21)14-40-29(22)20(8-32)10-36-40/h3-7,9-11,13-14,23-25H,12,15-16H2,1-2H3,(H,34,41)/t23?,24-,25+
InChIKeyWXGVTEGEAWBQNO-QILAJZQNSA-N
XLogP4.14
TPSA117.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.05
LogP ≤ 54.14
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]methyl]-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]methyl]-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]methyl]-6-methylpyridine-2-carboxamide (CID 155406363) 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]methyl]-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]methyl]-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]methyl]-6-methylpyridine-2-carboxamide is Cc1ccc(Cl)c(C(=O)NCC2[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]methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is WXGVTEGEAWBQNO-QILAJZQNSA-N. The full InChI is InChI=1S/C30H26ClN9O/c1-17-3-5-26(31)28(37-17)30(41)34-12-23-24-15-39(16-25(23)24)27-6-4-18(9-33-27)22-7-19(21-11-35-38(2)13-21)14-40-29(22)20(8-32)10-36-40/h3-7,9-11,13-14,23-25H,12,15-16H2,1-2H3,(H,34,41)/t23?,24-,25+.
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]methyl]-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]methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 564.05 g/mol, XLogP of 4.14, 6 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]methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 155406363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).