N'-cyclopentyl-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}butanediamide

• ChemBase ID: 358912
• Molecular Formular: C16H24N4O2
• Molecular Mass: 304.38736
• Monoisotopic Mass: 304.18992603
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CCC(=O)NC1CCCC1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CCC(=O)NC1CCCC1
• InChI: InChI=1S/C16H24N4O2/c21-15(18-12-5-1-2-6-12)8-9-16(22)19-14-11-17-13-7-3-4-10-20(13)14/h11-12H,1-10H2,(H,18,21)(H,19,22)
• InChIKey: IQHLAHLHOWPQFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-cyclopentyl-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}butanediamide
• IUPAC Traditional name: N'-cyclopentyl-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}succinamide
• Synonyms: N-cyclopentyl-N'-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.809353
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.115005545
• LogD (pH = 7.4): 0.76573443
• Log P: 0.7963877
• Molar Refractivity: 83.9882 cm^3
• Polarizability: 31.902822 Å^3
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.81
• LOG S: -2.11
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 5