3-fluoro-N,6-dimethyl-N-{[3-(pyridin-3-yl)-1,2-oxazol-5-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 735380
• 分子式: C19H16FN5O2
• 平均质量: 365.3610432
• 单一同位素质量: 365.128803
• SMILES: c1(c(n2c(n1)ccc(c2)C)F)C(=O)N(Cc1cc(no1)c1cnccc1)C
• Canonical SMILES: Cc1ccc2n(c1)c(F)c(n2)C(=O)N(Cc1onc(c1)c1cccnc1)C
• InChI: InChI=1S/C19H16FN5O2/c1-12-5-6-16-22-17(18(20)25(16)10-12)19(26)24(2)11-14-8-15(23-27-14)13-4-3-7-21-9-13/h3-10H,11H2,1-2H3
• InChIKey: WJJSZWRXLXCNBZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-fluoro-N,6-dimethyl-N-{[3-(pyridin-3-yl)-1,2-oxazol-5-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: 3-fluoro-N,6-dimethyl-N-{[3-(pyridin-3-yl)-1,2-oxazol-5-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• 别名: 3-fluoro-N,6-dimethyl-N-{[3-(3-pyridinyl)-5-isoxazolyl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.7965424
• LogD (pH = 7.4): 1.8124945
• Log P: 1.8127025
• 摩尔折射率: 98.1877 cm^3
• 极化性: 36.890385 Å^3
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 0.27
• LOG S: -3.4
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 4