N-cyclobutyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 678475
• Molecular Formular: C18H16FN3O
• Molecular Mass: 309.3375432
• Monoisotopic Mass: 309.12774037
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NC1CCC1
• Canonical SMILES: Fc1ccc(cc1)c1nc2n(c1)cc(cc2)C(=O)NC1CCC1
• InChI: InChI=1S/C18H16FN3O/c19-14-7-4-12(5-8-14)16-11-22-10-13(6-9-17(22)21-16)18(23)20-15-2-1-3-15/h4-11,15H,1-3H2,(H,20,23)
• InChIKey: FONQHNKQZPYEJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-cyclobutyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-cyclobutyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.343733
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7281504
• LogD (pH = 7.4): 2.916705
• Log P: 2.9197767
• Molar Refractivity: 86.7043 cm^3
• Polarizability: 33.35199 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.72
• LOG S: -3.78
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 3