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

• ChemBase ID: 679461
• Molecular Formular: C18H22N4O
• Molecular Mass: 310.39348
• Monoisotopic Mass: 310.17936134
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c(N2CCCC2)cccc1
• Canonical SMILES: O=C(c1ccccc1N1CCCC1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C18H22N4O/c23-18(20-17-13-19-16-9-3-4-12-22(16)17)14-7-1-2-8-15(14)21-10-5-6-11-21/h1-2,7-8,13H,3-6,9-12H2,(H,20,23)
• InChIKey: DVFLRWURKJIPJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.262223
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9029527
• LogD (pH = 7.4): 2.5395272
• Log P: 2.5681055
• Molar Refractivity: 92.6029 cm^3
• Polarizability: 34.008118 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.82
• LOG S: -3.02
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3