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

• ChemBase编号: 477877
• 分子式: C18H20N4O
• 平均质量: 308.3776
• 单一同位素质量: 308.16371128
• 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/C18H20N4O/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/h4-10,12,14H,11H2,1-3H3
• InChIKey: IUQPDVXNOQQANH-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]pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-methyl-N-[1-methyl-2-(4-methylpyridin-2-yl)ethyl]pyrazolo[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): 2.3591866
• LogD (pH = 7.4): 2.5532587
• Log P: 2.556457
• 摩尔折射率: 100.9426 cm^3
• 极化性: 34.615555 Å^3
• 极化表面积: 50.5 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: 1.87
• LOG S: -1.75
• 极化表面积: 50.5 Å^2
• 可自由旋转的化学键: 4