2-(morpholin-2-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide

• ChemBase编号: 375973
• 分子式: C14H18N4O2
• 平均质量: 274.31832
• 单一同位素质量: 274.14297584
• SMILES: n12c(c(cn1)CNC(=O)CC1OCCNC1)cccc2
• Canonical SMILES: O=C(CC1CNCCO1)NCc1cnn2c1cccc2
• InChI: InChI=1S/C14H18N4O2/c19-14(7-12-10-15-4-6-20-12)16-8-11-9-17-18-5-2-1-3-13(11)18/h1-3,5,9,12,15H,4,6-8,10H2,(H,16,19)
• InChIKey: JYJMCXRZMDYEPC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(morpholin-2-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide
• IUPAC传统名: 2-(morpholin-2-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide
• 别名: 2-morpholin-2-yl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide

理论计算性质

JChem

• Acid pKa: 15.225967
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -2.7322297
• LogD (pH = 7.4): -1.0433452
• Log P: 0.03452794
• 摩尔折射率: 85.4735 cm^3
• 极化性: 29.53614 Å^3
• 极化表面积: 67.66 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: 4
• 质子供体: 2
• Log P: -0.9
• LOG S: -1.74
• 极化表面积: 67.66 Å^2
• 可自由旋转的化学键: 4