N-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase编号: 573519
• 分子式: C19H16FN5O
• 平均质量: 349.3616432
• 单一同位素质量: 349.13388838
• SMILES: c1(c2n(nc1)cccc2)C(=O)N(Cc1cn(nc1)c1ccc(cc1)F)C
• Canonical SMILES: Fc1ccc(cc1)n1ncc(c1)CN(C(=O)c1cnn2c1cccc2)C
• InChI: InChI=1S/C19H16FN5O/c1-23(19(26)17-11-22-24-9-3-2-4-18(17)24)12-14-10-21-25(13-14)16-7-5-15(20)6-8-16/h2-11,13H,12H2,1H3
• InChIKey: OWGFOQQBHWSFPH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-{[1-(4-fluorophenyl)pyrazol-4-yl]methyl}-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-N-methylpyrazolo[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): 2.754127
• LogD (pH = 7.4): 2.7541685
• Log P: 2.754169
• 摩尔折射率: 108.0404 cm^3
• 极化性: 36.79187 Å^3
• 极化表面积: 55.43 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: 1.62
• LOG S: -3.13
• 极化表面积: 55.43 Å^2
• 可自由旋转的化学键: 4