N-[6-bromo-5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide

C50H66BrCl3F4N12O3 — CID 159420945

About N-[6-bromo-5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide

N-[6-bromo-5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide (PubChem CID 159420945) has the molecular formula C50H66BrCl3F4N12O3 and a molecular weight of 1145.41 g/mol. Its IUPAC name is N-[6-bromo-5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[6-bromo-5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide
• PubChem CID: 159420945
• Molecular Formula: C50H66BrCl3F4N12O3
• Molecular Weight: 1145.41 g/mol
• Exact Mass: 1142.36
• IUPAC Name: N-[6-bromo-5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1nc2cc(Br)c(Cl)nc2n1C1(C)CCC1.CC(C)(CC(=O)Nc1nc2cc(Cl)c(Cl)nc2n1C(C)(C)C)C(F)F.Cc1ccc2nc(NC(=O)CC(C)(C)C(F)F)n(C(C)(C)C)c2n1
• InChI: InChI=1S/C17H22BrClN4O.C17H24F2N4O.C16H20Cl2F2N4O/c1-16(2,3)9-12(24)21-15-20-11-8-10(18)13(19)22-14(11)23(15)17(4)6-5-7-17;1-10-7-8-11-13(20-10)23(16(2,3)4)15(21-11)22-12(24)9-17(5,6)14(18)19;1-15(2,3)24-12-9(6-8(17)11(18)23-12)21-14(24)22-10(25)7-16(4,5)13(19)20/h8H,5-7,9H2,1-4H3,(H,20,21,24);7-8,14H,9H2,1-6H3,(H,21,22,24);6,13H,7H2,1-5H3,(H,21,22,25)
• InChIKey: LPTINLKARNJIBE-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 179.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1145.41
LogP ≤ 5	14.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-bromo-5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide?

The IUPAC name of N-[6-bromo-5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide (CID 159420945) is N-[6-bromo-5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide.

What is the SMILES notation for N-[6-bromo-5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide?

The canonical SMILES for N-[6-bromo-5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2cc(Br)c(Cl)nc2n1C1(C)CCC1.CC(C)(CC(=O)Nc1nc2cc(Cl)c(Cl)nc2n1C(C)(C)C)C(F)F.Cc1ccc2nc(NC(=O)CC(C)(C)C(F)F)n(C(C)(C)C)c2n1.

What is the InChIKey of N-[6-bromo-5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide?

The InChIKey is LPTINLKARNJIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrClN4O.C17H24F2N4O.C16H20Cl2F2N4O/c1-16(2,3)9-12(24)21-15-20-11-8-10(18)13(19)22-14(11)23(15)17(4)6-5-7-17;1-10-7-8-11-13(20-10)23(16(2,3)4)15(21-11)22-12(24)9-17(5,6)14(18)19;1-15(2,3)24-12-9(6-8(17)11(18)23-12)21-14(24)22-10(25)7-16(4,5)13(19)20/h8H,5-7,9H2,1-4H3,(H,20,21,24);7-8,14H,9H2,1-6H3,(H,21,22,24);6,13H,7H2,1-5H3,(H,21,22,25).

What are the key properties of N-[6-bromo-5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide?

N-[6-bromo-5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide has a molecular weight of 1145.41 g/mol, XLogP of 14.35, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-bromo-5-chloro-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-(3-tert-butyl-5,6-dichloroimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide;N-(3-tert-butyl-5-methylimidazo[4,5-b]pyridin-2-yl)-4,4-difluoro-3,3-dimethylbutanamide is sourced from PubChem (CID 159420945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).