N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase编号: 336353
• 分子式: C15H21N5O2
• 平均质量: 303.35954
• 单一同位素质量: 303.16952494
• SMILES: c1(C(=O)N(Cc2nnc(o2)CC)CC)c2n(nc1)CCCC2
• Canonical SMILES: CCN(C(=O)c1cnn2c1CCCC2)Cc1nnc(o1)CC
• InChI: InChI=1S/C15H21N5O2/c1-3-13-17-18-14(22-13)10-19(4-2)15(21)11-9-16-20-8-6-5-7-12(11)20/h9H,3-8,10H2,1-2H3
• InChIKey: VEXCJGSPEJRBMK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.3516677
• LogD (pH = 7.4): 0.35170513
• Log P: 0.3517056
• 摩尔折射率: 95.0577 cm^3
• 极化性: 30.356277 Å^3
• 极化表面积: 77.05 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 0.62
• LOG S: -1.94
• 极化表面积: 77.05 Å^2
• 可自由旋转的化学键: 5