N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-(4-methoxyphenyl)butanamide

• ChemBase ID: 775038
• Molecular Formular: C18H23N3O2
• Molecular Mass: 313.39412
• Monoisotopic Mass: 313.17902699
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CCCc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CCCC(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C18H23N3O2/c1-23-15-10-8-14(9-11-15)5-4-7-18(22)20-17-13-19-16-6-2-3-12-21(16)17/h8-11,13H,2-7,12H2,1H3,(H,20,22)
• InChIKey: IQIPZDGHIOAKRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-(4-methoxyphenyl)butanamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-4-(4-methoxyphenyl)butanamide
• Synonyms: 4-(4-methoxyphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.833259
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0843391
• LogD (pH = 7.4): 2.7352192
• Log P: 2.7658954
• Molar Refractivity: 90.3499 cm^3
• Polarizability: 34.29707 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.81
• LOG S: -3.88
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 6