3-fluoro-N,6-dimethyl-N-(quinolin-5-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 847561
• 分子式: C20H17FN4O
• 平均质量: 348.3735832
• 单一同位素质量: 348.1386394
• SMILES: c1(c(n2c(n1)ccc(c2)C)F)C(=O)N(Cc1c2c(nccc2)ccc1)C
• Canonical SMILES: Cc1ccc2n(c1)c(F)c(n2)C(=O)N(Cc1cccc2c1cccn2)C
• InChI: InChI=1S/C20H17FN4O/c1-13-8-9-17-23-18(19(21)25(17)11-13)20(26)24(2)12-14-5-3-7-16-15(14)6-4-10-22-16/h3-11H,12H2,1-2H3
• InChIKey: CHMWREOHQDPXNW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-fluoro-N,6-dimethyl-N-(quinolin-5-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 3-fluoro-N,6-dimethyl-N-(quinolin-5-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• 别名: 3-fluoro-N,6-dimethyl-N-(5-quinolinylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.8521783
• LogD (pH = 7.4): 2.8701727
• Log P: 2.8704073
• 摩尔折射率: 98.1822 cm^3
• 极化性: 37.4247 Å^3
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.96
• LOG S: -4.52
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 3