(3R)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide;N-[3-(3,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

C122H140Cl3F5N24O12 — CID 158485586

About (3R)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide;N-[3-(3,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

(3R)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide;N-[3-(3,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 158485586) has the molecular formula C122H140Cl3F5N24O12 and a molecular weight of 2335.97 g/mol. Its IUPAC name is (3R)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide;N-[3-(3,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: (3R)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide;N-[3-(3,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
• PubChem CID: 158485586
• Molecular Formula: C122H140Cl3F5N24O12
• Molecular Weight: 2335.97 g/mol
• Exact Mass: 2333.01
• IUPAC Name: (3R)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide;N-[3-(3,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(OC(F)(F)F)cc1.CC(C)(O)c1ccc2nc(NC(=O)CC(O)(C3CC3)C3CC3)n(C3CCC3)c2n1.CC1(n2c(NC(=O)C[C@@](C)(O)c3ccccc3)nc3ccc(Cl)nc32)CCC1.CC1(n2c(NC(=O)C[C@](C)(O)c3ccccc3)nc3ccc(Cl)nc32)CCC1.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(-c3ccc(F)c(F)c3)c2n1.Cc1ccc2nc(NC(=O)CC(O)(C3CC3)C3CC3)n(C3CCC3)c2n1
• InChI: InChI=1S/C22H30N4O3.2C21H23ClN4O2.C20H26N4O2.C19H18ClF3N4O2.C19H20F2N4O/c1-21(2,28)17-11-10-16-19(24-17)26(15-4-3-5-15)20(23-16)25-18(27)12-22(29,13-6-7-13)14-8-9-14;2*1-20(11-6-12-20)26-18-15(9-10-16(22)24-18)23-19(26)25-17(27)13-21(2,28)14-7-4-3-5-8-14;1-12-5-10-16-18(21-12)24(15-3-2-4-15)19(22-16)23-17(25)11-20(26,13-6-7-13)14-8-9-14;1-18(2,3)10-15(28)26-17-24-13-8-9-14(20)25-16(13)27(17)11-4-6-12(7-5-11)29-19(21,22)23;1-11-5-8-15-17(22-11)25(12-6-7-13(20)14(21)9-12)18(23-15)24-16(26)10-19(2,3)4/h10-11,13-15,28-29H,3-9,12H2,1-2H3,(H,23,25,27);2*3-5,7-10,28H,6,11-13H2,1-2H3,(H,23,25,27);5,10,13-15,26H,2-4,6-9,11H2,1H3,(H,22,23,25);4-9H,10H2,1-3H3,(H,24,26,28);5-9H,10H2,1-4H3,(H,23,24,26)/t;2*21-;;;/m.10.../s1
• InChIKey: HIBCXQMPGJKLBK-SJNQVXKNSA-N
• XLogP: 24.78
• TPSA: 469.24 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2335.97
LogP ≤ 5	24.78
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide;N-[3-(3,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

The IUPAC name of (3R)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide;N-[3-(3,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (CID 158485586) is (3R)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide;N-[3-(3,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

What is the SMILES notation for (3R)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide;N-[3-(3,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

The canonical SMILES for (3R)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide;N-[3-(3,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(Cl)nc2n1-c1ccc(OC(F)(F)F)cc1.CC(C)(O)c1ccc2nc(NC(=O)CC(O)(C3CC3)C3CC3)n(C3CCC3)c2n1.CC1(n2c(NC(=O)C[C@@](C)(O)c3ccccc3)nc3ccc(Cl)nc32)CCC1.CC1(n2c(NC(=O)C[C@](C)(O)c3ccccc3)nc3ccc(Cl)nc32)CCC1.Cc1ccc2nc(NC(=O)CC(C)(C)C)n(-c3ccc(F)c(F)c3)c2n1.Cc1ccc2nc(NC(=O)CC(O)(C3CC3)C3CC3)n(C3CCC3)c2n1.

What is the InChIKey of (3R)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide;N-[3-(3,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

The InChIKey is HIBCXQMPGJKLBK-SJNQVXKNSA-N. The full InChI is InChI=1S/C22H30N4O3.2C21H23ClN4O2.C20H26N4O2.C19H18ClF3N4O2.C19H20F2N4O/c1-21(2,28)17-11-10-16-19(24-17)26(15-4-3-5-15)20(23-16)25-18(27)12-22(29,13-6-7-13)14-8-9-14;2*1-20(11-6-12-20)26-18-15(9-10-16(22)24-18)23-19(26)25-17(27)13-21(2,28)14-7-4-3-5-8-14;1-12-5-10-16-18(21-12)24(15-3-2-4-15)19(22-16)23-17(25)11-20(26,13-6-7-13)14-8-9-14;1-18(2,3)10-15(28)26-17-24-13-8-9-14(20)25-16(13)27(17)11-4-6-12(7-5-11)29-19(21,22)23;1-11-5-8-15-17(22-11)25(12-6-7-13(20)14(21)9-12)18(23-15)24-16(26)10-19(2,3)4/h10-11,13-15,28-29H,3-9,12H2,1-2H3,(H,23,25,27);2*3-5,7-10,28H,6,11-13H2,1-2H3,(H,23,25,27);5,10,13-15,26H,2-4,6-9,11H2,1H3,(H,22,23,25);4-9H,10H2,1-3H3,(H,24,26,28);5-9H,10H2,1-4H3,(H,23,24,26)/t;2*21-;;;/m.10.../s1.

What are the key properties of (3R)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide;N-[3-(3,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

(3R)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide;N-[3-(3,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 2335.97 g/mol, XLogP of 24.78, 30 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;(3S)-N-[5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3-hydroxy-3-phenylbutanamide;N-[5-chloro-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[3-cyclobutyl-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-3,3-dicyclopropyl-3-hydroxypropanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dicyclopropyl-3-hydroxypropanamide;N-[3-(3,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 158485586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).