N-methyl-N-{[1-(piperidin-1-yl)cyclohexyl]methyl}pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase编号: 725682
• 分子式: C21H30N4O
• 平均质量: 354.4891
• 单一同位素质量: 354.2419616
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N(CC1(N2CCCCC2)CCCCC1)C
• Canonical SMILES: CN(C(=O)c1cccc2n1ncc2)CC1(CCCCC1)N1CCCCC1
• InChI: InChI=1S/C21H30N4O/c1-23(20(26)19-10-8-9-18-11-14-22-25(18)19)17-21(12-4-2-5-13-21)24-15-6-3-7-16-24/h8-11,14H,2-7,12-13,15-17H2,1H3
• InChIKey: VCSGQKCLDCDWNK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-{[1-(piperidin-1-yl)cyclohexyl]methyl}pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC传统名: N-methyl-N-{[1-(piperidin-1-yl)cyclohexyl]methyl}pyrazolo[1,5-a]pyridine-7-carboxamide
• 别名: N-methyl-N-{[1-(1-piperidinyl)cyclohexyl]methyl}pyrazolo[1,5-a]pyridine-7-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.08089767
• LogD (pH = 7.4): 1.1756783
• Log P: 3.3132265
• 摩尔折射率: 115.7921 cm^3
• 极化性: 40.80431 Å^3
• 极化表面积: 40.85 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: 3
• 质子供体: 0
• Log P: 3.01
• LOG S: -4.36
• 极化表面积: 40.85 Å^2
• 可自由旋转的化学键: 4