N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase编号: 850792
• 分子式: C19H20N4O2
• 平均质量: 336.3877
• 单一同位素质量: 336.1586259
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N(Cc1ncccc1)CC1OCCC1
• Canonical SMILES: O=C(c1cccc2n1ncc2)N(Cc1ccccn1)CC1CCCO1
• InChI: InChI=1S/C19H20N4O2/c24-19(18-8-3-6-16-9-11-21-23(16)18)22(14-17-7-4-12-25-17)13-15-5-1-2-10-20-15/h1-3,5-6,8-11,17H,4,7,12-14H2
• InChIKey: FGCWSYZRGLWWRC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC传统名: N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyridine-7-carboxamide
• 别名: N-(pyridin-2-ylmethyl)-N-(tetrahydrofuran-2-ylmethyl)pyrazolo[1,5-a]pyridine-7-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.7103126
• LogD (pH = 7.4): 1.7278101
• Log P: 1.7280382
• 摩尔折射率: 104.9154 cm^3
• 极化性: 36.493137 Å^3
• 极化表面积: 59.73 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: 0
• Log P: 0.24
• LOG S: -1.87
• 极化表面积: 59.73 Å^2
• 可自由旋转的化学键: 5