N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide

• ChemBase ID: 466147
• Molecular Formular: C20H20N4O2
• Molecular Mass: 348.3984
• Monoisotopic Mass: 348.1586259
• SMILES: C1(=O)N(CCC1C(=O)NCCc1nc2n(c1)cccc2)c1ccccc1
• Canonical SMILES: O=C(C1CCN(C1=O)c1ccccc1)NCCc1nc2n(c1)cccc2
• InChI: InChI=1S/C20H20N4O2/c25-19(17-10-13-24(20(17)26)16-6-2-1-3-7-16)21-11-9-15-14-23-12-5-4-8-18(23)22-15/h1-8,12,14,17H,9-11,13H2,(H,21,25)
• InChIKey: NSBUBXCVANXVBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
• IUPAC Traditional name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
• Synonyms: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-oxo-1-phenyl-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.12656
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.55428
• LogD (pH = 7.4): 1.2562536
• Log P: 1.2826989
• Molar Refractivity: 98.611 cm^3
• Polarizability: 37.44658 Å^3
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.95
• LOG S: -4.14
• Polar Surface Area: 66.71 Å^2
• Rotatable Bonds: 5