6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-[(2R)-2,3-difluoro-3-methylbutyl]pyridine-3-carboxamide

C22H21ClF4N8O — CID 118206835

IUPAC6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-[(2R)-2,3-difluoro-3-methylbutyl]pyridine-3-carboxamide
SMILESCC(C)(F)[C@H](F)CNC(=O)c1cnc(-n2cnc3cc(Cl)cnc32)cc1Nc1cnn(CC(F)F)c1
InChIInChI=1S/C22H21ClF4N8O/c1-22(2,27)17(24)8-30-21(36)14-7-28-19(35-11-31-16-3-12(23)5-29-20(16)35)4-15(14)33-13-6-32-34(9-13)10-18(25)26/h3-7,9,11,17-18H,8,10H2,1-2H3,(H,28,33)(H,30,36)/t17-/m1/s1
InChIKeyKSECOOSTCYCUCK-QGZVFWFLSA-N
MW524.91 g/mol
LogP4.49
Rot. Bonds9

About 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-[(2R)-2,3-difluoro-3-methylbutyl]pyridine-3-carboxamide

6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-[(2R)-2,3-difluoro-3-methylbutyl]pyridine-3-carboxamide (PubChem CID 118206835) has the molecular formula C22H21ClF4N8O and a molecular weight of 524.91 g/mol. Its IUPAC name is 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-[(2R)-2,3-difluoro-3-methylbutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-[(2R)-2,3-difluoro-3-methylbutyl]pyridine-3-carboxamide
PubChem CID118206835
Molecular FormulaC22H21ClF4N8O
Molecular Weight524.91 g/mol
Exact Mass524.15
IUPAC Name6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-[(2R)-2,3-difluoro-3-methylbutyl]pyridine-3-carboxamide
SMILESCC(C)(F)[C@H](F)CNC(=O)c1cnc(-n2cnc3cc(Cl)cnc32)cc1Nc1cnn(CC(F)F)c1
InChIInChI=1S/C22H21ClF4N8O/c1-22(2,27)17(24)8-30-21(36)14-7-28-19(35-11-31-16-3-12(23)5-29-20(16)35)4-15(14)33-13-6-32-34(9-13)10-18(25)26/h3-7,9,11,17-18H,8,10H2,1-2H3,(H,28,33)(H,30,36)/t17-/m1/s1
InChIKeyKSECOOSTCYCUCK-QGZVFWFLSA-N
XLogP4.49
TPSA102.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.91
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-[(2R)-2,3-difluoro-3-methylbutyl]pyridine-3-carboxamide with MolForge

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2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3,4-dicarboxamide
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4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
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US10399985, Example 31
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US20240018157, Example 16
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Frequently Asked Questions

What is the IUPAC name of 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-[(2R)-2,3-difluoro-3-methylbutyl]pyridine-3-carboxamide?
The IUPAC name of 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-[(2R)-2,3-difluoro-3-methylbutyl]pyridine-3-carboxamide (CID 118206835) is 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-[(2R)-2,3-difluoro-3-methylbutyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-[(2R)-2,3-difluoro-3-methylbutyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-[(2R)-2,3-difluoro-3-methylbutyl]pyridine-3-carboxamide is CC(C)(F)[C@H](F)CNC(=O)c1cnc(-n2cnc3cc(Cl)cnc32)cc1Nc1cnn(CC(F)F)c1.
What is the InChIKey of 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-[(2R)-2,3-difluoro-3-methylbutyl]pyridine-3-carboxamide?
The InChIKey is KSECOOSTCYCUCK-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H21ClF4N8O/c1-22(2,27)17(24)8-30-21(36)14-7-28-19(35-11-31-16-3-12(23)5-29-20(16)35)4-15(14)33-13-6-32-34(9-13)10-18(25)26/h3-7,9,11,17-18H,8,10H2,1-2H3,(H,28,33)(H,30,36)/t17-/m1/s1.
What are the key properties of 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-[(2R)-2,3-difluoro-3-methylbutyl]pyridine-3-carboxamide?
6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-[(2R)-2,3-difluoro-3-methylbutyl]pyridine-3-carboxamide has a molecular weight of 524.91 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-[(2R)-2,3-difluoro-3-methylbutyl]pyridine-3-carboxamide is sourced from PubChem (CID 118206835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).