4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-(6-methyl-2-pyridinyl)benzamide;6-methylpyridin-2-amine

C48H38F4N12O3 — CID 162215905

IUPAC4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-(6-methyl-2-pyridinyl)benzamide;6-methylpyridin-2-amine
SMILESCc1cccc(N)n1.Cc1cccc(NC(=O)c2ccc(C3(c4nc5ncc(C#N)cc5[nH]4)CC(F)(F)C3)cc2)n1.N#Cc1cnc2nc(C3(c4ccc(C(=O)O)cc4)CC(F)(F)C3)[nH]c2c1
InChIInChI=1S/C24H18F2N6O.C18H12F2N4O2.C6H8N2/c1-14-3-2-4-19(29-14)31-21(33)16-5-7-17(8-6-16)23(12-24(25,26)13-23)22-30-18-9-15(10-27)11-28-20(18)32-22;19-18(20)8-17(9-18,12-3-1-11(2-4-12)15(25)26)16-23-13-5-10(6-21)7-22-14(13)24-16;1-5-3-2-4-6(7)8-5/h2-9,11H,12-13H2,1H3,(H,28,30,32)(H,29,31,33);1-5,7H,8-9H2,(H,25,26)(H,22,23,24);2-4H,1H3,(H2,7,8)
InChIKeyZTLQTRNKUPNQFJ-UHFFFAOYSA-N
MW906.90 g/mol
LogP8.72
Rot. Bonds7

About 4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-(6-methyl-2-pyridinyl)benzamide;6-methylpyridin-2-amine

4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-(6-methyl-2-pyridinyl)benzamide;6-methylpyridin-2-amine (PubChem CID 162215905) has the molecular formula C48H38F4N12O3 and a molecular weight of 906.90 g/mol. Its IUPAC name is 4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-(6-methyl-2-pyridinyl)benzamide;6-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-(6-methyl-2-pyridinyl)benzamide;6-methylpyridin-2-amine
PubChem CID162215905
Molecular FormulaC48H38F4N12O3
Molecular Weight906.90 g/mol
Exact Mass906.31
IUPAC Name4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-(6-methyl-2-pyridinyl)benzamide;6-methylpyridin-2-amine
SMILESCc1cccc(N)n1.Cc1cccc(NC(=O)c2ccc(C3(c4nc5ncc(C#N)cc5[nH]4)CC(F)(F)C3)cc2)n1.N#Cc1cnc2nc(C3(c4ccc(C(=O)O)cc4)CC(F)(F)C3)[nH]c2c1
InChIInChI=1S/C24H18F2N6O.C18H12F2N4O2.C6H8N2/c1-14-3-2-4-19(29-14)31-21(33)16-5-7-17(8-6-16)23(12-24(25,26)13-23)22-30-18-9-15(10-27)11-28-20(18)32-22;19-18(20)8-17(9-18,12-3-1-11(2-4-12)15(25)26)16-23-13-5-10(6-21)7-22-14(13)24-16;1-5-3-2-4-6(7)8-5/h2-9,11H,12-13H2,1H3,(H,28,30,32)(H,29,31,33);1-5,7H,8-9H2,(H,25,26)(H,22,23,24);2-4H,1H3,(H2,7,8)
InChIKeyZTLQTRNKUPNQFJ-UHFFFAOYSA-N
XLogP8.72
TPSA248.92 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500906.90
LogP ≤ 58.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-(6-methyl-2-pyridinyl)benzamide;6-methylpyridin-2-amine with MolForge

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Related Compounds

US11098041, Example 153
CID 121249919
4-((5-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)pyridin-2-yl)carbamoyl)-3-fluorobenzoic acid
CID 176268025
4-((5-(2-(2-aminopyridin-3-yl)-5-(4-fluorophenyl)-3H-imidazo[4,5-b]pyridin-3-yl)pyridin-2-yl)carbamoyl)benzoic acid
CID 176268176
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]carbamoyl]-2-fluorobenzoic acid
CID 177821459
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]carbamoyl]-5-fluoro-2-methylbenzoic acid
CID 177821460
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]carbamoyl]-2,5-difluorobenzoic acid
CID 177821462
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]carbamoyl]-2-fluoro-5-methylbenzoic acid
CID 177821463
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-2-pyridinyl]carbamoyl]-2,6-difluorobenzoic acid
CID 177821464
4-[[5-[2-(2-Amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]-6-methyl-2-pyridinyl]carbamoyl]-2-fluorobenzoic acid
CID 177821467
4-{2-[6-(3-Fluoro-pyridin-4-yl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-yl]-ethyl}-benzoic acid
CID 16117737
4-[6-(3,5-Difluoropyridin-4-yl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-yl]benzoic acid
CID 16117869
4-[6-(3-Fluoropyridin-4-yl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-yl]benzoic acid
CID 16118577

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-(6-methyl-2-pyridinyl)benzamide;6-methylpyridin-2-amine?
The IUPAC name of 4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-(6-methyl-2-pyridinyl)benzamide;6-methylpyridin-2-amine (CID 162215905) is 4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-(6-methyl-2-pyridinyl)benzamide;6-methylpyridin-2-amine.
What is the SMILES notation for 4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-(6-methyl-2-pyridinyl)benzamide;6-methylpyridin-2-amine?
The canonical SMILES for 4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-(6-methyl-2-pyridinyl)benzamide;6-methylpyridin-2-amine is Cc1cccc(N)n1.Cc1cccc(NC(=O)c2ccc(C3(c4nc5ncc(C#N)cc5[nH]4)CC(F)(F)C3)cc2)n1.N#Cc1cnc2nc(C3(c4ccc(C(=O)O)cc4)CC(F)(F)C3)[nH]c2c1.
What is the InChIKey of 4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-(6-methyl-2-pyridinyl)benzamide;6-methylpyridin-2-amine?
The InChIKey is ZTLQTRNKUPNQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6O.C18H12F2N4O2.C6H8N2/c1-14-3-2-4-19(29-14)31-21(33)16-5-7-17(8-6-16)23(12-24(25,26)13-23)22-30-18-9-15(10-27)11-28-20(18)32-22;19-18(20)8-17(9-18,12-3-1-11(2-4-12)15(25)26)16-23-13-5-10(6-21)7-22-14(13)24-16;1-5-3-2-4-6(7)8-5/h2-9,11H,12-13H2,1H3,(H,28,30,32)(H,29,31,33);1-5,7H,8-9H2,(H,25,26)(H,22,23,24);2-4H,1H3,(H2,7,8).
What are the key properties of 4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-(6-methyl-2-pyridinyl)benzamide;6-methylpyridin-2-amine?
4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-(6-methyl-2-pyridinyl)benzamide;6-methylpyridin-2-amine has a molecular weight of 906.90 g/mol, XLogP of 8.72, 7 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]benzoic acid;4-[1-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-3,3-difluorocyclobutyl]-N-(6-methyl-2-pyridinyl)benzamide;6-methylpyridin-2-amine is sourced from PubChem (CID 162215905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).