N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-fluoro-4-methylcyclohexyl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-5,5,5-trifluoro-3-methylpentanamide;2-(5-chloro-2-methylphenyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(1,3-thiazol-2-yl)propanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide

C106H127Cl3F4N26O7S — CID 159947370

IUPACN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-fluoro-4-methylcyclohexyl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-5,5,5-trifluoro-3-methylpentanamide;2-(5-chloro-2-methylphenyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(1,3-thiazol-2-yl)propanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCC(CC(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1)CC(F)(F)F.CC1(F)CCC(CC(=O)Nc2nc3ccc(Cl)nc3n2C2CCC2)CC1.Cc1cc(-n2c(NC(=O)CC(C)(C)C)nc3ccc(C)nc32)on1.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2n1.Cc1ccc2nc(NC(=O)CCc3nccs3)n(C3CCC3)c2n1.Cc1cnc2c(c1)nc(NC(=O)Cc1cc(Cl)ccc1C)n2C1CCC1
InChIInChI=1S/C20H21ClN4O.C19H24ClFN4O.C17H21N5O2.C17H19N5OS.C17H24N4O.C16H18ClF3N4O/c1-12-8-17-19(22-11-12)25(16-4-3-5-16)20(23-17)24-18(26)10-14-9-15(21)7-6-13(14)2;1-19(21)9-7-12(8-10-19)11-16(26)24-18-22-14-5-6-15(20)23-17(14)25(18)13-3-2-4-13;1-10-6-7-12-15(18-10)22(14-8-11(2)21-24-14)16(19-12)20-13(23)9-17(3,4)5;1-11-5-6-13-16(19-11)22(12-3-2-4-12)17(20-13)21-14(23)7-8-15-18-9-10-24-15;1-11-8-9-13-15(18-11)21(12-6-5-7-12)16(19-13)20-14(22)10-17(2,3)4;1-9(8-16(18,19)20)7-13(25)23-15-21-11-5-6-12(17)22-14(11)24(15)10-3-2-4-10/h6-9,11,16H,3-5,10H2,1-2H3,(H,23,24,26);5-6,12-13H,2-4,7-11H2,1H3,(H,22,24,26);6-8H,9H2,1-5H3,(H,19,20,23);5-6,9-10,12H,2-4,7-8H2,1H3,(H,20,21,23);8-9,12H,5-7,10H2,1-4H3,(H,19,20,22);5-6,9-10H,2-4,7-8H2,1H3,(H,21,23,25)
InChIKeyOBQUYKMBQIJHBW-UHFFFAOYSA-N
MW2091.77 g/mol
LogP25.12
Rot. Bonds24

About N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-fluoro-4-methylcyclohexyl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-5,5,5-trifluoro-3-methylpentanamide;2-(5-chloro-2-methylphenyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(1,3-thiazol-2-yl)propanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide

N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-fluoro-4-methylcyclohexyl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-5,5,5-trifluoro-3-methylpentanamide;2-(5-chloro-2-methylphenyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(1,3-thiazol-2-yl)propanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide (PubChem CID 159947370) has the molecular formula C106H127Cl3F4N26O7S and a molecular weight of 2091.77 g/mol. Its IUPAC name is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-fluoro-4-methylcyclohexyl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-5,5,5-trifluoro-3-methylpentanamide;2-(5-chloro-2-methylphenyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(1,3-thiazol-2-yl)propanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide.

Molecular Properties

Compound NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-fluoro-4-methylcyclohexyl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-5,5,5-trifluoro-3-methylpentanamide;2-(5-chloro-2-methylphenyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(1,3-thiazol-2-yl)propanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide
PubChem CID159947370
Molecular FormulaC106H127Cl3F4N26O7S
Molecular Weight2091.77 g/mol
Exact Mass2088.91
IUPAC NameN-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-fluoro-4-methylcyclohexyl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-5,5,5-trifluoro-3-methylpentanamide;2-(5-chloro-2-methylphenyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(1,3-thiazol-2-yl)propanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide
SMILESCC(CC(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1)CC(F)(F)F.CC1(F)CCC(CC(=O)Nc2nc3ccc(Cl)nc3n2C2CCC2)CC1.Cc1cc(-n2c(NC(=O)CC(C)(C)C)nc3ccc(C)nc32)on1.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2n1.Cc1ccc2nc(NC(=O)CCc3nccs3)n(C3CCC3)c2n1.Cc1cnc2c(c1)nc(NC(=O)Cc1cc(Cl)ccc1C)n2C1CCC1
InChIInChI=1S/C20H21ClN4O.C19H24ClFN4O.C17H21N5O2.C17H19N5OS.C17H24N4O.C16H18ClF3N4O/c1-12-8-17-19(22-11-12)25(16-4-3-5-16)20(23-17)24-18(26)10-14-9-15(21)7-6-13(14)2;1-19(21)9-7-12(8-10-19)11-16(26)24-18-22-14-5-6-15(20)23-17(14)25(18)13-3-2-4-13;1-10-6-7-12-15(18-10)22(14-8-11(2)21-24-14)16(19-12)20-13(23)9-17(3,4)5;1-11-5-6-13-16(19-11)22(12-3-2-4-12)17(20-13)21-14(23)7-8-15-18-9-10-24-15;1-11-8-9-13-15(18-11)21(12-6-5-7-12)16(19-13)20-14(22)10-17(2,3)4;1-9(8-16(18,19)20)7-13(25)23-15-21-11-5-6-12(17)22-14(11)24(15)10-3-2-4-10/h6-9,11,16H,3-5,10H2,1-2H3,(H,23,24,26);5-6,12-13H,2-4,7-11H2,1H3,(H,22,24,26);6-8H,9H2,1-5H3,(H,19,20,23);5-6,9-10,12H,2-4,7-8H2,1H3,(H,20,21,23);8-9,12H,5-7,10H2,1-4H3,(H,19,20,22);5-6,9-10H,2-4,7-8H2,1H3,(H,21,23,25)
InChIKeyOBQUYKMBQIJHBW-UHFFFAOYSA-N
XLogP25.12
TPSA397.78 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds24
Heavy Atoms147
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002091.77
LogP ≤ 525.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-fluoro-4-methylcyclohexyl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-5,5,5-trifluoro-3-methylpentanamide;2-(5-chloro-2-methylphenyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(1,3-thiazol-2-yl)propanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-fluoro-4-methylcyclohexyl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-5,5,5-trifluoro-3-methylpentanamide;2-(5-chloro-2-methylphenyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(1,3-thiazol-2-yl)propanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-fluoro-4-methylcyclohexyl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-5,5,5-trifluoro-3-methylpentanamide;2-(5-chloro-2-methylphenyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(1,3-thiazol-2-yl)propanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide (CID 159947370) is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-fluoro-4-methylcyclohexyl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-5,5,5-trifluoro-3-methylpentanamide;2-(5-chloro-2-methylphenyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(1,3-thiazol-2-yl)propanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide.
What is the SMILES notation for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-fluoro-4-methylcyclohexyl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-5,5,5-trifluoro-3-methylpentanamide;2-(5-chloro-2-methylphenyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(1,3-thiazol-2-yl)propanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The canonical SMILES for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-fluoro-4-methylcyclohexyl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-5,5,5-trifluoro-3-methylpentanamide;2-(5-chloro-2-methylphenyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(1,3-thiazol-2-yl)propanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide is CC(CC(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1)CC(F)(F)F.CC1(F)CCC(CC(=O)Nc2nc3ccc(Cl)nc3n2C2CCC2)CC1.Cc1cc(-n2c(NC(=O)CC(C)(C)C)nc3ccc(C)nc32)on1.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2n1.Cc1ccc2nc(NC(=O)CCc3nccs3)n(C3CCC3)c2n1.Cc1cnc2c(c1)nc(NC(=O)Cc1cc(Cl)ccc1C)n2C1CCC1.
What is the InChIKey of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-fluoro-4-methylcyclohexyl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-5,5,5-trifluoro-3-methylpentanamide;2-(5-chloro-2-methylphenyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(1,3-thiazol-2-yl)propanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide?
The InChIKey is OBQUYKMBQIJHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O.C19H24ClFN4O.C17H21N5O2.C17H19N5OS.C17H24N4O.C16H18ClF3N4O/c1-12-8-17-19(22-11-12)25(16-4-3-5-16)20(23-17)24-18(26)10-14-9-15(21)7-6-13(14)2;1-19(21)9-7-12(8-10-19)11-16(26)24-18-22-14-5-6-15(20)23-17(14)25(18)13-3-2-4-13;1-10-6-7-12-15(18-10)22(14-8-11(2)21-24-14)16(19-12)20-13(23)9-17(3,4)5;1-11-5-6-13-16(19-11)22(12-3-2-4-12)17(20-13)21-14(23)7-8-15-18-9-10-24-15;1-11-8-9-13-15(18-11)21(12-6-5-7-12)16(19-13)20-14(22)10-17(2,3)4;1-9(8-16(18,19)20)7-13(25)23-15-21-11-5-6-12(17)22-14(11)24(15)10-3-2-4-10/h6-9,11,16H,3-5,10H2,1-2H3,(H,23,24,26);5-6,12-13H,2-4,7-11H2,1H3,(H,22,24,26);6-8H,9H2,1-5H3,(H,19,20,23);5-6,9-10,12H,2-4,7-8H2,1H3,(H,20,21,23);8-9,12H,5-7,10H2,1-4H3,(H,19,20,22);5-6,9-10H,2-4,7-8H2,1H3,(H,21,23,25).
What are the key properties of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-fluoro-4-methylcyclohexyl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-5,5,5-trifluoro-3-methylpentanamide;2-(5-chloro-2-methylphenyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(1,3-thiazol-2-yl)propanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide?
N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-fluoro-4-methylcyclohexyl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-5,5,5-trifluoro-3-methylpentanamide;2-(5-chloro-2-methylphenyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(1,3-thiazol-2-yl)propanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide has a molecular weight of 2091.77 g/mol, XLogP of 25.12, 24 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2-(4-fluoro-4-methylcyclohexyl)acetamide;N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-5,5,5-trifluoro-3-methylpentanamide;2-(5-chloro-2-methylphenyl)-N-(3-cyclobutyl-6-methylimidazo[4,5-b]pyridin-2-yl)acetamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-(1,3-thiazol-2-yl)propanamide;3,3-dimethyl-N-[5-methyl-3-(3-methyl-1,2-oxazol-5-yl)imidazo[4,5-b]pyridin-2-yl]butanamide is sourced from PubChem (CID 159947370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).