N-(piperidin-4-yl)-N-(pyridin-3-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase编号: 721769
• 分子式: C19H25N5O
• 平均质量: 339.4347
• 单一同位素质量: 339.20591045
• SMILES: c1(C(=O)N(Cc2cnccc2)C2CCNCC2)c2n(nc1)CCCC2
• Canonical SMILES: O=C(c1cnn2c1CCCC2)N(C1CCNCC1)Cc1cccnc1
• InChI: InChI=1S/C19H25N5O/c25-19(17-13-22-24-11-2-1-5-18(17)24)23(16-6-9-20-10-7-16)14-15-4-3-8-21-12-15/h3-4,8,12-13,16,20H,1-2,5-7,9-11,14H2
• InChIKey: WUNNJRFQTIZVLG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(piperidin-4-yl)-N-(pyridin-3-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-(piperidin-4-yl)-N-(pyridin-3-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-piperidin-4-yl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.749677
• LogD (pH = 7.4): -1.9934735
• Log P: 0.5427767
• 摩尔折射率: 108.9884 cm^3
• 极化性: 36.993492 Å^3
• 极化表面积: 63.05 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: 1
• Log P: 0.35
• LOG S: -1.98
• 极化表面积: 63.05 Å^2
• 可自由旋转的化学键: 4