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

• ChemBase编号: 776395
• 分子式: C18H20N4O
• 平均质量: 308.3776
• 单一同位素质量: 308.16371128
• SMILES: c1(nn2c(c1)cccc2)C(=O)N(C(Cc1nccc(c1)C)C)C
• Canonical SMILES: Cc1ccnc(c1)CC(N(C(=O)c1cc2n(n1)cccc2)C)C
• InChI: InChI=1S/C18H20N4O/c1-13-7-8-19-15(10-13)11-14(2)21(3)18(23)17-12-16-6-4-5-9-22(16)20-17/h4-10,12,14H,11H2,1-3H3
• InChIKey: DKJLGTYGHJCFDK-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-2-carboxamide
• IUPAC传统名: N-methyl-N-[1-(4-methylpyridin-2-yl)propan-2-yl]pyrazolo[1,5-a]pyridine-2-carboxamide
• 别名: N-methyl-N-[1-methyl-2-(4-methylpyridin-2-yl)ethyl]pyrazolo[1,5-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.7450466
• LogD (pH = 7.4): 2.939109
• Log P: 2.9423075
• 摩尔折射率: 100.5706 cm^3
• 极化性: 34.61695 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