5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-{pyrazolo[1,5-a]pyridin-7-yl}pyridine

• ChemBase编号: 762733
• 分子式: C15H11N5O
• 平均质量: 277.28074
• 单一同位素质量: 277.09636
• SMILES: n12c(c3ncc(c4nc(no4)C)cc3)cccc1ccn2
• Canonical SMILES: Cc1noc(n1)c1ccc(nc1)c1cccc2n1ncc2
• InChI: InChI=1S/C15H11N5O/c1-10-18-15(21-19-10)11-5-6-13(16-9-11)14-4-2-3-12-7-8-17-20(12)14/h2-9H,1H3
• InChIKey: ALAYXWKARUOLBD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-{pyrazolo[1,5-a]pyridin-7-yl}pyridine
• IUPAC传统名: 5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-{pyrazolo[1,5-a]pyridin-7-yl}pyridine
• 别名: 7-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.6940815
• LogD (pH = 7.4): 2.6943078
• Log P: 2.6943107
• 摩尔折射率: 98.8048 cm^3
• 极化性: 31.169998 Å^3
• 极化表面积: 69.11 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 2.14
• LOG S: -3.05
• 极化表面积: 69.11 Å^2
• 可自由旋转的化学键: 2