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

• ChemBase编号: 666348
• 分子式: C18H24N4O
• 平均质量: 312.40936
• 单一同位素质量: 312.19501141
• SMILES: c1(C(=O)N(C(Cc2nccc(c2)C)C)C)c2n(nc1)CCCC2
• Canonical SMILES: Cc1ccnc(c1)CC(N(C(=O)c1cnn2c1CCCC2)C)C
• InChI: InChI=1S/C18H24N4O/c1-13-7-8-19-15(10-13)11-14(2)21(3)18(23)16-12-20-22-9-5-4-6-17(16)22/h7-8,10,12,14H,4-6,9,11H2,1-3H3
• InChIKey: JYRAPEGMDCRFHZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-methyl-N-[1-methyl-2-(4-methylpyridin-2-yl)ethyl]-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): 1.9502017
• LogD (pH = 7.4): 2.1443007
• Log P: 2.1474996
• 摩尔折射率: 102.4692 cm^3
• 极化性: 34.276314 Å^3
• 极化表面积: 51.02 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: 1.37
• LOG S: -1.35
• 极化表面积: 51.02 Å^2
• 可自由旋转的化学键: 4