N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(5-oxopyrrolidin-2-yl)acetamide

• ChemBase ID: 469911
• Molecular Formular: C13H18N4O2
• Molecular Mass: 262.30762
• Monoisotopic Mass: 262.14297584
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CC1NC(=O)CC1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CC1CCC(=O)N1
• InChI: InChI=1S/C13H18N4O2/c18-12-5-4-9(15-12)7-13(19)16-11-8-14-10-3-1-2-6-17(10)11/h8-9H,1-7H2,(H,15,18)(H,16,19)
• InChIKey: DKKRMRALSVGWJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.619556
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.062372
• LogD (pH = 7.4): -0.4120089
• Log P: -0.38141087
• Molar Refractivity: 70.0312 cm^3
• Polarizability: 26.405436 Å^3
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -1.5
• LOG S: -1.14
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 3