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

• ChemBase编号: 445056
• 分子式: C17H14N6O2
• 平均质量: 334.33206
• 单一同位素质量: 334.11782372
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N(Cc1nc(no1)c1ccncc1)C
• Canonical SMILES: CN(C(=O)c1cccc2n1ncc2)Cc1onc(n1)c1ccncc1
• InChI: InChI=1S/C17H14N6O2/c1-22(17(24)14-4-2-3-13-7-10-19-23(13)14)11-15-20-16(21-25-15)12-5-8-18-9-6-12/h2-10H,11H2,1H3
• InChIKey: YLZJACIVRUDESK-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 1.5827097
• LogD (pH = 7.4): 1.5833056
• Log P: 1.5833132
• 摩尔折射率: 112.5371 cm^3
• 极化性: 34.568657 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: 0.84
• LOG S: -2.35
• 极化表面积: 89.42 Å^2
• 可自由旋转的化学键: 4