N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase编号: 747797
• 分子式: C15H16N4O2
• 平均质量: 284.31314
• 单一同位素质量: 284.12732577
• SMILES: n12c(C(=O)NCc3onc(c3)CCC)cccc1ccn2
• Canonical SMILES: CCCc1noc(c1)CNC(=O)c1cccc2n1ncc2
• InChI: InChI=1S/C15H16N4O2/c1-2-4-11-9-13(21-18-11)10-16-15(20)14-6-3-5-12-7-8-17-19(12)14/h3,5-9H,2,4,10H2,1H3,(H,16,20)
• InChIKey: OGVMJDJBIQGPGJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC传统名: N-[(3-propyl-1,2-oxazol-5-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• 别名: N-[(3-propylisoxazol-5-yl)methyl]pyrazolo[1,5-a]pyridine-7-carboxamide

理论计算性质

JChem

• Acid pKa: 14.346972
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.7829368
• LogD (pH = 7.4): 1.782994
• Log P: 1.7829947
• 摩尔折射率: 89.582 cm^3
• 极化性: 29.660362 Å^3
• 极化表面积: 72.43 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 1.79
• LOG S: -2.8
• 极化表面积: 72.43 Å^2
• 可自由旋转的化学键: 5