N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;N-[3-(cyclopropylmethyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;(3S)-N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;N-[3-(4-methoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

C111H130ClF7N24O10 — CID 161256667

About N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;N-[3-(cyclopropylmethyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;(3S)-N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;N-[3-(4-methoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;N-[3-(cyclopropylmethyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;(3S)-N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;N-[3-(4-methoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 161256667) has the molecular formula C111H130ClF7N24O10 and a molecular weight of 2128.86 g/mol. Its IUPAC name is N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;N-[3-(cyclopropylmethyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;(3S)-N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;N-[3-(4-methoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;N-[3-(cyclopropylmethyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;(3S)-N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;N-[3-(4-methoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
• PubChem CID: 161256667
• Molecular Formula: C111H130ClF7N24O10
• Molecular Weight: 2128.86 g/mol
• Exact Mass: 2127.00
• IUPAC Name: N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;N-[3-(cyclopropylmethyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;(3S)-N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;N-[3-(4-methoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
• SMILES: CC(C)(O)CC(=O)Nc1nc2ccc(Cl)nc2n1CC(F)(F)F.COc1ccc(-n2c(NC(=O)CC(C)(C)C)nc3ccc(C)nc32)cc1.Cc1cc2nc(NC(=O)CC(C)(C)C)n(-c3cc(F)cc(F)c3)c2nc1C.Cc1cc2nc(NC(=O)C[C@](C)(O)c3ccccc3)n(-c3cc(F)cc(F)c3)c2nc1C.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(CC3CC3)c2n1.Cc1ccc2nc(NC(=O)CC(C)(C)O)n(C3(C)CCC3)c2n1
• InChI: InChI=1S/C24H22F2N4O2.C20H22F2N4O.C20H24N4O2.C17H24N4O2.C17H24N4O.C13H14ClF3N4O2/c1-14-9-20-22(27-15(14)2)30(19-11-17(25)10-18(26)12-19)23(28-20)29-21(31)13-24(3,32)16-7-5-4-6-8-16;1-11-6-16-18(23-12(11)2)26(15-8-13(21)7-14(22)9-15)19(24-16)25-17(27)10-20(3,4)5;1-13-6-11-16-18(21-13)24(14-7-9-15(26-5)10-8-14)19(22-16)23-17(25)12-20(2,3)4;1-11-6-7-12-14(18-11)21(17(4)8-5-9-17)15(19-12)20-13(22)10-16(2,3)23;1-11-5-8-13-15(18-11)21(10-12-6-7-12)16(19-13)20-14(22)9-17(2,3)4;1-12(2,23)5-9(22)20-11-18-7-3-4-8(14)19-10(7)21(11)6-13(15,16)17/h4-12,32H,13H2,1-3H3,(H,28,29,31);6-9H,10H2,1-5H3,(H,24,25,27);6-11H,12H2,1-5H3,(H,22,23,25);6-7,23H,5,8-10H2,1-4H3,(H,19,20,22);5,8,12H,6-7,9-10H2,1-4H3,(H,19,20,22);3-4,23H,5-6H2,1-2H3,(H,18,20,22)/t24-;;;;;/m0...../s1
• InChIKey: VBZXGQHSHBUCGZ-JTBRFMHVSA-N
• XLogP: 22.36
• TPSA: 428.78 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2128.86
LogP ≤ 5	22.36
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;N-[3-(cyclopropylmethyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;(3S)-N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;N-[3-(4-methoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

The IUPAC name of N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;N-[3-(cyclopropylmethyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;(3S)-N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;N-[3-(4-methoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (CID 161256667) is N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;N-[3-(cyclopropylmethyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;(3S)-N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;N-[3-(4-methoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;N-[3-(cyclopropylmethyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;(3S)-N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;N-[3-(4-methoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

The canonical SMILES for N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;N-[3-(cyclopropylmethyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;(3S)-N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;N-[3-(4-methoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is CC(C)(O)CC(=O)Nc1nc2ccc(Cl)nc2n1CC(F)(F)F.COc1ccc(-n2c(NC(=O)CC(C)(C)C)nc3ccc(C)nc32)cc1.Cc1cc2nc(NC(=O)CC(C)(C)C)n(-c3cc(F)cc(F)c3)c2nc1C.Cc1cc2nc(NC(=O)C[C@](C)(O)c3ccccc3)n(-c3cc(F)cc(F)c3)c2nc1C.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(CC3CC3)c2n1.Cc1ccc2nc(NC(=O)CC(C)(C)O)n(C3(C)CCC3)c2n1.

What is the InChIKey of N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;N-[3-(cyclopropylmethyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;(3S)-N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;N-[3-(4-methoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

The InChIKey is VBZXGQHSHBUCGZ-JTBRFMHVSA-N. The full InChI is InChI=1S/C24H22F2N4O2.C20H22F2N4O.C20H24N4O2.C17H24N4O2.C17H24N4O.C13H14ClF3N4O2/c1-14-9-20-22(27-15(14)2)30(19-11-17(25)10-18(26)12-19)23(28-20)29-21(31)13-24(3,32)16-7-5-4-6-8-16;1-11-6-16-18(23-12(11)2)26(15-8-13(21)7-14(22)9-15)19(24-16)25-17(27)10-20(3,4)5;1-13-6-11-16-18(21-13)24(14-7-9-15(26-5)10-8-14)19(22-16)23-17(25)12-20(2,3)4;1-11-6-7-12-14(18-11)21(17(4)8-5-9-17)15(19-12)20-13(22)10-16(2,3)23;1-11-5-8-13-15(18-11)21(10-12-6-7-12)16(19-13)20-14(22)9-17(2,3)4;1-12(2,23)5-9(22)20-11-18-7-3-4-8(14)19-10(7)21(11)6-13(15,16)17/h4-12,32H,13H2,1-3H3,(H,28,29,31);6-9H,10H2,1-5H3,(H,24,25,27);6-11H,12H2,1-5H3,(H,22,23,25);6-7,23H,5,8-10H2,1-4H3,(H,19,20,22);5,8,12H,6-7,9-10H2,1-4H3,(H,19,20,22);3-4,23H,5-6H2,1-2H3,(H,18,20,22)/t24-;;;;;/m0...../s1.

What are the key properties of N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;N-[3-(cyclopropylmethyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;(3S)-N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;N-[3-(4-methoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;N-[3-(cyclopropylmethyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;(3S)-N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;N-[3-(4-methoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 2128.86 g/mol, XLogP of 22.36, 24 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-methylbutanamide;N-[3-(cyclopropylmethyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;(3S)-N-[3-(3,5-difluorophenyl)-5,6-dimethylimidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;3-hydroxy-3-methyl-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;N-[3-(4-methoxyphenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 161256667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).