N-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 477311
• Molecular Formular: C22H17N3O2
• Molecular Mass: 355.38928
• Monoisotopic Mass: 355.1320768
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NC1c2c(OC1)cccc2
• Canonical SMILES: O=C(c1ccc2n(c1)cc(n2)c1ccccc1)NC1COc2c1cccc2
• InChI: InChI=1S/C22H17N3O2/c26-22(24-19-14-27-20-9-5-4-8-17(19)20)16-10-11-21-23-18(13-25(21)12-16)15-6-2-1-3-7-15/h1-13,19H,14H2,(H,24,26)
• InChIKey: QIHWZWPPFMXIFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(2,3-dihydro-1-benzofuran-3-yl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.222529
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.132139
• LogD (pH = 7.4): 3.3189495
• Log P: 3.3219855
• Molar Refractivity: 103.4527 cm^3
• Polarizability: 40.309334 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: 3.19
• LOG S: -4.52
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3