N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase编号: 518819
• 分子式: C20H23N5O
• 平均质量: 349.42952
• 单一同位素质量: 349.19026038
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N(C1CCN(CC1)C)Cc1ccncc1
• Canonical SMILES: CN1CCC(CC1)N(C(=O)c1cccc2n1ncc2)Cc1ccncc1
• InChI: InChI=1S/C20H23N5O/c1-23-13-8-17(9-14-23)24(15-16-5-10-21-11-6-16)20(26)19-4-2-3-18-7-12-22-25(18)19/h2-7,10-12,17H,8-9,13-15H2,1H3
• InChIKey: NWWGFAQUOJHEHS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC传统名: N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyridine-7-carboxamide
• 别名: N-(1-methyl-4-piperidinyl)-N-(4-pyridinylmethyl)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): -1.6810772
• LogD (pH = 7.4): 0.17988881
• Log P: 1.2547834
• 摩尔折射率: 112.634 cm^3
• 极化性: 39.17122 Å^3
• 极化表面积: 53.74 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: 0
• Log P: 0.77
• LOG S: -1.1
• 极化表面积: 53.74 Å^2
• 可自由旋转的化学键: 4