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

• ChemBase编号: 828594
• 分子式: C17H23N5O2
• 平均质量: 329.39682
• 单一同位素质量: 329.185175
• SMILES: c1(C(=O)N(Cc2nc(on2)C2CCCC2)C)c2n(nc1)CCCC2
• Canonical SMILES: CN(C(=O)c1cnn2c1CCCC2)Cc1noc(n1)C1CCCC1
• InChI: InChI=1S/C17H23N5O2/c1-21(11-15-19-16(24-20-15)12-6-2-3-7-12)17(23)13-10-18-22-9-5-4-8-14(13)22/h10,12H,2-9,11H2,1H3
• InChIKey: IKKOBSASVUIPFX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-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): 1.9471276
• LogD (pH = 7.4): 1.947165
• Log P: 1.9471655
• 摩尔折射率: 102.1576 cm^3
• 极化性: 33.302013 Å^3
• 极化表面积: 77.05 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: 5
• 质子供体: 0
• Log P: 1.05
• LOG S: -2.5
• 极化表面积: 77.05 Å^2
• 可自由旋转的化学键: 4