3-[(1-{imidazo[1,2-a]pyridine-3-carbonyl}pyrrolidin-3-yl)methyl]benzamide

• ChemBase ID: 824007
• Molecular Formular: C20H20N4O2
• Molecular Mass: 348.3984
• Monoisotopic Mass: 348.1586259
• SMILES: c1(n2c(nc1)cccc2)C(=O)N1CC(Cc2cc(C(=O)N)ccc2)CC1
• Canonical SMILES: O=C(c1cnc2n1cccc2)N1CCC(C1)Cc1cccc(c1)C(=O)N
• InChI: InChI=1S/C20H20N4O2/c21-19(25)16-5-3-4-14(11-16)10-15-7-9-23(13-15)20(26)17-12-22-18-6-1-2-8-24(17)18/h1-6,8,11-12,15H,7,9-10,13H2,(H2,21,25)
• InChIKey: OMJIAZAQMLAVTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-{imidazo[1,2-a]pyridine-3-carbonyl}pyrrolidin-3-yl)methyl]benzamide
• IUPAC Traditional name: 3-[(1-{imidazo[1,2-a]pyridine-3-carbonyl}pyrrolidin-3-yl)methyl]benzamide
• Synonyms: 3-{[1-(imidazo[1,2-a]pyridin-3-ylcarbonyl)pyrrolidin-3-yl]methyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.491277
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0954931
• LogD (pH = 7.4): 1.1761723
• Log P: 1.1773262
• Molar Refractivity: 100.4727 cm^3
• Polarizability: 37.033398 Å^3
• Polar Surface Area: 80.7 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: 1.25
• LOG S: -2.81
• Polar Surface Area: 80.7 Å^2
• Rotatable Bonds: 4