N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase编号: 455482
• 分子式: C19H24N4O2
• 平均质量: 340.41946
• 单一同位素质量: 340.18992603
• SMILES: c1(C(=O)N(Cc2ncccc2)CC2OCCC2)c2n(nc1)CCCC2
• Canonical SMILES: O=C(c1cnn2c1CCCC2)N(Cc1ccccn1)CC1CCCO1
• InChI: InChI=1S/C19H24N4O2/c24-19(17-12-21-23-10-4-2-8-18(17)23)22(14-16-7-5-11-25-16)13-15-6-1-3-9-20-15/h1,3,6,9,12,16H,2,4-5,7-8,10-11,13-14H2
• InChIKey: SKWCKKWRRYGNBU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC传统名: N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• 别名: N-(pyridin-2-ylmethyl)-N-(tetrahydrofuran-2-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: 0
• LogD (pH = 5.5): 1.3813695
• LogD (pH = 7.4): 1.3988516
• Log P: 1.3990794
• 摩尔折射率: 106.5645 cm^3
• 极化性: 36.17121 Å^3
• 极化表面积: 60.25 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: 0.21
• LOG S: -1.87
• 极化表面积: 60.25 Å^2
• 可自由旋转的化学键: 5