N-(furan-2-ylmethyl)-N-[2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase编号: 785732
• 分子式: C19H22N4O3
• 平均质量: 354.40298
• 单一同位素质量: 354.16919058
• SMILES: c1(c2n(nc1)cccc2)C(=O)N(Cc1occc1)CCN1CCOCC1
• Canonical SMILES: O=C(c1cnn2c1cccc2)N(Cc1ccco1)CCN1CCOCC1
• InChI: InChI=1S/C19H22N4O3/c24-19(17-14-20-23-6-2-1-5-18(17)23)22(15-16-4-3-11-26-16)8-7-21-9-12-25-13-10-21/h1-6,11,14H,7-10,12-13,15H2
• InChIKey: UMGWJCYYEMVGHU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(furan-2-ylmethyl)-N-[2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-(furan-2-ylmethyl)-N-[2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-(2-furylmethyl)-N-(2-morpholin-4-ylethyl)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): 0.9166031
• LogD (pH = 7.4): 1.3755144
• Log P: 1.3860393
• 摩尔折射率: 108.9468 cm^3
• 极化性: 37.634758 Å^3
• 极化表面积: 63.22 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 2.31
• LOG S: -3.76
• 极化表面积: 63.22 Å^2
• 可自由旋转的化学键: 6