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

• ChemBase编号: 376027
• 分子式: C17H14N6O2
• 平均质量: 334.33206
• 单一同位素质量: 334.11782372
• SMILES: c1(c2n(nc1)cccc2)C(=O)N(Cc1nc(no1)c1cnccc1)C
• Canonical SMILES: CN(C(=O)c1cnn2c1cccc2)Cc1onc(n1)c1cccnc1
• InChI: InChI=1S/C17H14N6O2/c1-22(17(24)13-10-19-23-8-3-2-6-14(13)23)11-15-20-16(21-25-15)12-5-4-7-18-9-12/h2-10H,11H2,1H3
• InChIKey: SWFUGUUQQHRSIY-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.7018992
• LogD (pH = 7.4): 1.7076123
• Log P: 1.7076857
• 摩尔折射率: 112.6596 cm^3
• 极化性: 34.571583 Å^3
• 极化表面积: 89.42 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: 6
• 质子供体: 0
• Log P: 1.02
• LOG S: -2.51
• 极化表面积: 89.42 Å^2
• 可自由旋转的化学键: 4