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

• ChemBase编号: 821996
• 分子式: C19H19N3O
• 平均质量: 305.37366
• 单一同位素质量: 305.15281224
• SMILES: c1(C(=O)N(C2c3c(CCC2)cccc3)C)c2n(nc1)cccc2
• Canonical SMILES: CN(C(=O)c1cnn2c1cccc2)C1CCCc2c1cccc2
• InChI: InChI=1S/C19H19N3O/c1-21(17-11-6-8-14-7-2-3-9-15(14)17)19(23)16-13-20-22-12-5-4-10-18(16)22/h2-5,7,9-10,12-13,17H,6,8,11H2,1H3
• InChIKey: OREBSPWMJDJSNG-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.5144308
• LogD (pH = 7.4): 3.5144413
• Log P: 3.5144415
• 摩尔折射率: 101.6441 cm^3
• 极化性: 34.792492 Å^3
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 2.69
• LOG S: -3.72
• 极化表面积: 37.61 Å^2
• 可自由旋转的化学键: 2