N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase编号: 536266
• 分子式: C19H20FN3O2
• 平均质量: 341.3794032
• 单一同位素质量: 341.15395512
• SMILES: n12c(c(nc1cccc2)C)CC(=O)NC(c1cc(c(cc1)OC)F)C
• Canonical SMILES: COc1ccc(cc1F)C(NC(=O)Cc1c(C)nc2n1cccc2)C
• InChI: InChI=1S/C19H20FN3O2/c1-12(14-7-8-17(25-3)15(20)10-14)22-19(24)11-16-13(2)21-18-6-4-5-9-23(16)18/h4-10,12H,11H2,1-3H3,(H,22,24)
• InChIKey: ISMCEGGUDUBWEW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC传统名: N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• 别名: N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 14.496087
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.2709116
• LogD (pH = 7.4): 1.9656829
• Log P: 1.9914813
• 摩尔折射率: 94.1429 cm^3
• 极化性: 35.401894 Å^3
• 极化表面积: 55.63 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 2.22
• LOG S: -3.58
• 极化表面积: 55.63 Å^2
• 可自由旋转的化学键: 5