N,N,2-trimethyl-7-(4-methylpiperidine-4-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase编号: 544412
• 分子式: C17H27N5O2
• 平均质量: 333.42858
• 单一同位素质量: 333.21647513
• SMILES: c1(n2c(nc1C)CN(C(=O)C1(CCNCC1)C)CC2)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1c(C)nc2n1CCN(C2)C(=O)C1(C)CCNCC1)C
• InChI: InChI=1S/C17H27N5O2/c1-12-14(15(23)20(3)4)22-10-9-21(11-13(22)19-12)16(24)17(2)5-7-18-8-6-17/h18H,5-11H2,1-4H3
• InChIKey: NDIVSWJGMKYIIB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N,2-trimethyl-7-(4-methylpiperidine-4-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC传统名: N,N,2-trimethyl-7-(4-methylpiperidine-4-carbonyl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• 别名: N,N,2-trimethyl-7-[(4-methylpiperidin-4-yl)carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -4.0864406
• LogD (pH = 7.4): -3.4632196
• Log P: -0.8426596
• 摩尔折射率: 92.3548 cm^3
• 极化性: 35.148167 Å^3
• 极化表面积: 70.47 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: -0.83
• LOG S: -2.23
• 极化表面积: 70.47 Å^2
• 可自由旋转的化学键: 2