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

• ChemBase ID: 625471
• Molecular Formular: C20H20FN3O2
• Molecular Mass: 353.3901032
• Monoisotopic Mass: 353.15395512
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NCC1CCOCC1
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C(=O)NCC1CCOCC1
• InChI: InChI=1S/C20H20FN3O2/c21-17-4-1-15(2-5-17)18-13-24-12-16(3-6-19(24)23-18)20(25)22-11-14-7-9-26-10-8-14/h1-6,12-14H,7-11H2,(H,22,25)
• InChIKey: SLNXFIWXKQNAOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: 2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: 2-(4-fluorophenyl)-N-(tetrahydro-2H-pyran-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.240325
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2393446
• LogD (pH = 7.4): 2.4283493
• Log P: 2.4314303
• Molar Refractivity: 98.1856 cm^3
• Polarizability: 37.730976 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.23
• LOG S: -3.68
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 4