2-(naphthalen-2-yloxy)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide

• ChemBase编号: 552832
• 分子式: C20H17N3O2
• 平均质量: 331.36788
• 单一同位素质量: 331.1320768
• SMILES: n12c(c(cn1)CNC(=O)COc1cc3c(cc1)cccc3)cccc2
• Canonical SMILES: O=C(NCc1cnn2c1cccc2)COc1ccc2c(c1)cccc2
• InChI: InChI=1S/C20H17N3O2/c24-20(21-12-17-13-22-23-10-4-3-7-19(17)23)14-25-18-9-8-15-5-1-2-6-16(15)11-18/h1-11,13H,12,14H2,(H,21,24)
• InChIKey: SVGZKAMWWLXIDK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(naphthalen-2-yloxy)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide
• IUPAC传统名: 2-(naphthalen-2-yloxy)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide
• 别名: 2-(2-naphthyloxy)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide

理论计算性质

JChem

• Acid pKa: 13.903286
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 2.9541214
• LogD (pH = 7.4): 2.9541776
• Log P: 2.9541783
• 摩尔折射率: 106.3074 cm^3
• 极化性: 38.48853 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: 3.56
• LOG S: -5.77
• 极化表面积: 55.63 Å^2
• 可自由旋转的化学键: 5