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

• ChemBase编号: 528267
• 分子式: C14H14N4O2
• 平均质量: 270.28656
• 单一同位素质量: 270.11167571
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N(C(c1nocc1)C)C
• Canonical SMILES: CN(C(=O)c1cccc2n1ncc2)C(c1nocc1)C
• InChI: InChI=1S/C14H14N4O2/c1-10(12-7-9-20-16-12)17(2)14(19)13-5-3-4-11-6-8-15-18(11)13/h3-10H,1-2H3
• InChIKey: HZBUPTISFZVVNH-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.4603766
• LogD (pH = 7.4): 1.4604305
• Log P: 1.4604312
• 摩尔折射率: 84.7535 cm^3
• 极化性: 27.902063 Å^3
• 极化表面积: 63.64 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: -0.12
• LOG S: -2.38
• 极化表面积: 63.64 Å^2
• 可自由旋转的化学键: 3