N-cyclopentyl-3-[5-(pyrazine-2-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

• ChemBase编号: 499506
• 分子式: C19H24N6O2
• 平均质量: 368.43286
• 单一同位素质量: 368.19607404
• SMILES: c12n(nc(c1)CCC(=O)NC1CCCC1)CCN(C(=O)c1nccnc1)C2
• Canonical SMILES: O=C(NC1CCCC1)CCc1cc2n(n1)CCN(C2)C(=O)c1nccnc1
• InChI: InChI=1S/C19H24N6O2/c26-18(22-14-3-1-2-4-14)6-5-15-11-16-13-24(9-10-25(16)23-15)19(27)17-12-20-7-8-21-17/h7-8,11-12,14H,1-6,9-10,13H2,(H,22,26)
• InChIKey: JLFZQZYFDCJTKS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclopentyl-3-[5-(pyrazine-2-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• IUPAC传统名: N-cyclopentyl-3-[5-(pyrazine-2-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• 别名: N-cyclopentyl-3-[5-(2-pyrazinylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]propanamide

理论计算性质

JChem

• Acid pKa: 15.203091
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -0.14982688
• LogD (pH = 7.4): -0.1497793
• Log P: -0.1497787
• 摩尔折射率: 110.2854 cm^3
• 极化性: 37.82647 Å^3
• 极化表面积: 93.01 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: 5
• 质子供体: 1
• Log P: -1.24
• LOG S: -2.14
• 极化表面积: 93.01 Å^2
• 可自由旋转的化学键: 5