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

• ChemBase编号: 773519
• 分子式: C16H19N5O2
• 平均质量: 313.35436
• 单一同位素质量: 313.15387487
• SMILES: c1(nn2c(c1)cccc2)C(=O)N(Cc1nc(on1)CCC)CC
• Canonical SMILES: CCCc1onc(n1)CN(C(=O)c1cc2n(n1)cccc2)CC
• InChI: InChI=1S/C16H19N5O2/c1-3-7-15-17-14(19-23-15)11-20(4-2)16(22)13-10-12-8-5-6-9-21(12)18-13/h5-6,8-10H,3-4,7,11H2,1-2H3
• InChIKey: HUDCHKMLGIYKJN-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.9042184
• LogD (pH = 7.4): 2.9042194
• Log P: 2.9042196
• 摩尔折射率: 97.6343 cm^3
• 极化性: 32.48466 Å^3
• 极化表面积: 76.53 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: 5
• 质子供体: 0
• Log P: 1.86
• LOG S: -3.08
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 6