3-fluoro-N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,5-dimethylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 463516
• 分子式: C18H19FN4O2
• 平均质量: 342.3674632
• 单一同位素质量: 342.14920409
• SMILES: c1(c(n2c(n1)cccc2C)F)C(=O)N(C(c1ncccc1)COC)C
• Canonical SMILES: COCC(N(C(=O)c1nc2n(c1F)c(C)ccc2)C)c1ccccn1
• InChI: InChI=1S/C18H19FN4O2/c1-12-7-6-9-15-21-16(17(19)23(12)15)18(24)22(2)14(11-25-3)13-8-4-5-10-20-13/h4-10,14H,11H2,1-3H3
• InChIKey: WIOMJISBQGOZJV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-fluoro-N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,5-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 3-fluoro-N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N,5-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• 别名: 3-fluoro-N-(2-methoxy-1-pyridin-2-ylethyl)-N,5-dimethylimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 摩尔折射率: 92.4791 cm^3
• 极化性: 34.34773 Å^3
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.4152476
• LogD (pH = 7.4): 1.4275142
• Log P: 1.427673

Provided by Chembridge

• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 5
• 质子受体: 4
• 质子供体: 0
• Log P: 0.73
• LOG S: -1.02