N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide

C51H67ClN12O6 — CID 161318238

About N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide

N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide (PubChem CID 161318238) has the molecular formula C51H67ClN12O6 and a molecular weight of 979.63 g/mol. Its IUPAC name is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide.

Molecular Properties

• Compound Name: N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide
• PubChem CID: 161318238
• Molecular Formula: C51H67ClN12O6
• Molecular Weight: 979.63 g/mol
• Exact Mass: 978.50
• IUPAC Name: N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide
• SMILES: CC(O)(CC(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1)C1CC1.Cc1ccc2nc(NC(=O)CC(C)(O)C3CC3)n(C3CCC3)c2n1.Cc1ccnc2c1nc(NC(=O)CC(C)(C)O)n2C1CCC1
• InChI: InChI=1S/C18H24N4O2.C17H21ClN4O2.C16H22N4O2/c1-11-6-9-14-16(19-11)22(13-4-3-5-13)17(20-14)21-15(23)10-18(2,24)12-7-8-12;1-17(24,10-5-6-10)9-14(23)21-16-19-12-7-8-13(18)20-15(12)22(16)11-3-2-4-11;1-10-7-8-17-14-13(10)19-15(20(14)11-5-4-6-11)18-12(21)9-16(2,3)22/h6,9,12-13,24H,3-5,7-8,10H2,1-2H3,(H,20,21,23);7-8,10-11,24H,2-6,9H2,1H3,(H,19,21,23);7-8,11,22H,4-6,9H2,1-3H3,(H,18,19,21)
• InChIKey: VJUBOXDHOIYKGH-UHFFFAOYSA-N
• XLogP: 8.82
• TPSA: 240.12 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	979.63
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

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-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide?

The IUPAC name of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide (CID 161318238) is N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide.

What is the SMILES notation for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide?

The canonical SMILES for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide is CC(O)(CC(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1)C1CC1.Cc1ccc2nc(NC(=O)CC(C)(O)C3CC3)n(C3CCC3)c2n1.Cc1ccnc2c1nc(NC(=O)CC(C)(C)O)n2C1CCC1.

What is the InChIKey of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide?

The InChIKey is VJUBOXDHOIYKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.C17H21ClN4O2.C16H22N4O2/c1-11-6-9-14-16(19-11)22(13-4-3-5-13)17(20-14)21-15(23)10-18(2,24)12-7-8-12;1-17(24,10-5-6-10)9-14(23)21-16-19-12-7-8-13(18)20-15(12)22(16)11-3-2-4-11;1-10-7-8-17-14-13(10)19-15(20(14)11-5-4-6-11)18-12(21)9-16(2,3)22/h6,9,12-13,24H,3-5,7-8,10H2,1-2H3,(H,20,21,23);7-8,10-11,24H,2-6,9H2,1H3,(H,19,21,23);7-8,11,22H,4-6,9H2,1-3H3,(H,18,19,21).

What are the key properties of N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide?

N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide has a molecular weight of 979.63 g/mol, XLogP of 8.82, 14 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3-cyclopropyl-3-hydroxybutanamide;N-(3-cyclobutyl-7-methylimidazo[4,5-b]pyridin-2-yl)-3-hydroxy-3-methylbutanamide is sourced from PubChem (CID 161318238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).