N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase编号: 522066
• 分子式: C20H23N5O
• 平均质量: 349.42952
• 单一同位素质量: 349.19026038
• SMILES: c1(C(=O)N(C2CCN(CC2)C)Cc2ccncc2)c2n(nc1)cccc2
• Canonical SMILES: CN1CCC(CC1)N(C(=O)c1cnn2c1cccc2)Cc1ccncc1
• InChI: InChI=1S/C20H23N5O/c1-23-12-7-17(8-13-23)24(15-16-5-9-21-10-6-16)20(26)18-14-22-25-11-3-2-4-19(18)25/h2-6,9-11,14,17H,7-8,12-13,15H2,1H3
• InChIKey: HDRRHWMJOHITTQ-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-3-carboxamide
• IUPAC传统名: N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-(1-methyl-4-piperidinyl)-N-(4-pyridinylmethyl)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): -1.5490547
• LogD (pH = 7.4): 0.31904382
• Log P: 1.3347822
• 摩尔折射率: 112.7565 cm^3
• 极化性: 39.172688 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