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

• ChemBase编号: 775812
• 分子式: C15H17N5O3
• 平均质量: 315.32718
• 单一同位素质量: 315.13313943
• SMILES: c1(c2n(nc1)cccc2)C(=O)N(Cc1nc(no1)COC)CC
• Canonical SMILES: COCc1noc(n1)CN(C(=O)c1cnn2c1cccc2)CC
• InChI: InChI=1S/C15H17N5O3/c1-3-19(9-14-17-13(10-22-2)18-23-14)15(21)11-8-16-20-7-5-4-6-12(11)20/h4-8H,3,9-10H2,1-2H3
• InChIKey: SDMNGEPZUUEDQM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-ethyl-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-ethyl-N-{[3-(methoxymethyl)-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): 1.2183169
• LogD (pH = 7.4): 1.2183274
• Log P: 1.2183275
• 摩尔折射率: 95.2318 cm^3
• 极化性: 31.447554 Å^3
• 极化表面积: 85.76 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 0
• Log P: 0.31
• LOG S: -3.08
• 极化表面积: 85.76 Å^2
• 可自由旋转的化学键: 6