6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide

C22H20F3N9O2 — CID 118206666

IUPAC6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)(O)C(F)CNC(=O)c1cnc(-n2cnc3cc(C#N)cnc32)cc1Nc1cnn(C(F)F)c1
InChIInChI=1S/C22H20F3N9O2/c1-22(2,36)17(23)9-29-20(35)14-8-27-18(4-15(14)32-13-7-31-34(10-13)21(24)25)33-11-30-16-3-12(5-26)6-28-19(16)33/h3-4,6-8,10-11,17,21,36H,9H2,1-2H3,(H,27,32)(H,29,35)
InChIKeyHBYZIUOGLDUDFZ-UHFFFAOYSA-N
MW499.46 g/mol
LogP2.86
Rot. Bonds8

About 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide

6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (PubChem CID 118206666) has the molecular formula C22H20F3N9O2 and a molecular weight of 499.46 g/mol. Its IUPAC name is 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
PubChem CID118206666
Molecular FormulaC22H20F3N9O2
Molecular Weight499.46 g/mol
Exact Mass499.17
IUPAC Name6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
SMILESCC(C)(O)C(F)CNC(=O)c1cnc(-n2cnc3cc(C#N)cnc32)cc1Nc1cnn(C(F)F)c1
InChIInChI=1S/C22H20F3N9O2/c1-22(2,36)17(23)9-29-20(35)14-8-27-18(4-15(14)32-13-7-31-34(10-13)21(24)25)33-11-30-16-3-12(5-26)6-28-19(16)33/h3-4,6-8,10-11,17,21,36H,9H2,1-2H3,(H,27,32)(H,29,35)
InChIKeyHBYZIUOGLDUDFZ-UHFFFAOYSA-N
XLogP2.86
TPSA146.57 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.46
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-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 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The IUPAC name of 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide (CID 118206666) is 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cnc(-n2cnc3cc(C#N)cnc32)cc1Nc1cnn(C(F)F)c1.
What is the InChIKey of 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
The InChIKey is HBYZIUOGLDUDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N9O2/c1-22(2,36)17(23)9-29-20(35)14-8-27-18(4-15(14)32-13-7-31-34(10-13)21(24)25)33-11-30-16-3-12(5-26)6-28-19(16)33/h3-4,6-8,10-11,17,21,36H,9H2,1-2H3,(H,27,32)(H,29,35).
What are the key properties of 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide?
6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide has a molecular weight of 499.46 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-[[1-(difluoromethyl)pyrazol-4-yl]amino]-N-(2-fluoro-3-hydroxy-3-methylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 118206666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).