N-(1-carbamoylcyclopentyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 781415
• Molecular Formular: C20H20N4O2
• Molecular Mass: 348.3984
• Monoisotopic Mass: 348.1586259
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NC1(C(=O)N)CCCC1
• Canonical SMILES: NC(=O)C1(CCCC1)NC(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C20H20N4O2/c21-19(26)20(10-4-5-11-20)23-18(25)15-8-9-17-22-16(13-24(17)12-15)14-6-2-1-3-7-14/h1-3,6-9,12-13H,4-5,10-11H2,(H2,21,26)(H,23,25)
• InChIKey: DSUPSXXQFMKMNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-carbamoylcyclopentyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-(1-carbamoylcyclopentyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[1-(aminocarbonyl)cyclopentyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 89.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 14.371321
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9316673
• LogD (pH = 7.4): 2.1178088
• Log P: 2.1208313
• Molar Refractivity: 99.0355 cm^3
• Polarizability: 38.597813 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 89.49 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 2
• Log P: 1.52
• LOG S: -3.04