N-(1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-3-yl)acetamide

• ChemBase ID: 357175
• Molecular Formular: C20H20N4O2
• Molecular Mass: 348.3984
• Monoisotopic Mass: 348.1586259
• SMILES: c1(C(=O)N2CC(NC(=O)C)CC2)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: CC(=O)NC1CCN(C1)C(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C20H20N4O2/c1-14(25)21-17-9-10-23(12-17)20(26)16-7-8-19-22-18(13-24(19)11-16)15-5-3-2-4-6-15/h2-8,11,13,17H,9-10,12H2,1H3,(H,21,25)
• InChIKey: AHDHQILDUXPWRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-3-yl)acetamide
• IUPAC Traditional name: N-(1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}pyrrolidin-3-yl)acetamide
• Synonyms: N-{1-[(2-phenylimidazo[1,2-a]pyridin-6-yl)carbonyl]pyrrolidin-3-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.442474
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8728263
• LogD (pH = 7.4): 1.057686
• Log P: 1.0606822
• Molar Refractivity: 99.5326 cm^3
• Polarizability: 38.597733 Å^3
• Polar Surface Area: 66.71 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: 0.27
• LOG S: -3.28
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 3