N-methyl-N-{[3-(pyridin-4-yl)-1,2-oxazol-5-yl]methyl}pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase编号: 673235
• 分子式: C18H15N5O2
• 平均质量: 333.344
• 单一同位素质量: 333.12257475
• SMILES: c1(c2n(nc1)cccc2)C(=O)N(Cc1cc(no1)c1ccncc1)C
• Canonical SMILES: CN(C(=O)c1cnn2c1cccc2)Cc1onc(c1)c1ccncc1
• InChI: InChI=1S/C18H15N5O2/c1-22(18(24)15-11-20-23-9-3-2-4-17(15)23)12-14-10-16(21-25-14)13-5-7-19-8-6-13/h2-11H,12H2,1H3
• InChIKey: KZOKSVCPRXNJOJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-N-{[3-(pyridin-4-yl)-1,2-oxazol-5-yl]methyl}pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-methyl-N-{[3-(pyridin-4-yl)-1,2-oxazol-5-yl]methyl}pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-methyl-N-{[3-(4-pyridinyl)-5-isoxazolyl]methyl}pyrazolo[1,5-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.6207942
• LogD (pH = 7.4): 1.6255374
• Log P: 1.6255983
• 摩尔折射率: 103.3891 cm^3
• 极化性: 36.100857 Å^3
• 极化表面积: 76.53 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: 5
• 质子供体: 0
• Log P: -0.25
• LOG S: -2.73
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 4