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

• ChemBase编号: 771727
• 分子式: C20H26N4O
• 平均质量: 338.44664
• 单一同位素质量: 338.21066147
• SMILES: c1(C(=O)N([C@H]2CN(CC2)Cc2ccccc2)C)c2n(nc1)CCCC2
• Canonical SMILES: CN(C(=O)c1cnn2c1CCCC2)[C@@H]1CCN(C1)Cc1ccccc1
• InChI: InChI=1S/C20H26N4O/c1-22(20(25)18-13-21-24-11-6-5-9-19(18)24)17-10-12-23(15-17)14-16-7-3-2-4-8-16/h2-4,7-8,13,17H,5-6,9-12,14-15H2,1H3/t17-/m1/s1
• InChIKey: OYDIPWSIFCHZBH-QGZVFWFLSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -0.5531305
• LogD (pH = 7.4): 1.2210244
• Log P: 2.0835373
• 摩尔折射率: 111.5746 cm^3
• 极化性: 37.891006 Å^3
• 极化表面积: 41.37 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: 1.56
• LOG S: -3.0
• 极化表面积: 41.37 Å^2
• 可自由旋转的化学键: 4