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

• ChemBase ID: 685964
• Molecular Formular: C19H18FN3O2
• Molecular Mass: 339.3635232
• Monoisotopic Mass: 339.13830505
• SMILES: n12c(nc(c2)c2ccc(cc2)F)ccc(c1)C(=O)NC1CCOCC1
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C(=O)NC1CCOCC1
• InChI: InChI=1S/C19H18FN3O2/c20-15-4-1-13(2-5-15)17-12-23-11-14(3-6-18(23)22-17)19(24)21-16-7-9-25-10-8-16/h1-6,11-12,16H,7-10H2,(H,21,24)
• InChIKey: LWYSQXSDMKDTEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.341372
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7792227
• LogD (pH = 7.4): 1.9677582
• Log P: 1.9708295
• Molar Refractivity: 93.3676 cm^3
• Polarizability: 35.89149 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.95
• LOG S: -3.34
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3