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

• ChemBase编号: 398650
• 分子式: C18H29N5O2
• 平均质量: 347.45516
• 单一同位素质量: 347.23212519
• SMILES: c1(n2c(nc1C)CN(C(=O)C1CCN(CC1)CC)CC2)C(=O)N(C)C
• Canonical SMILES: CCN1CCC(CC1)C(=O)N1CCn2c(C1)nc(c2C(=O)N(C)C)C
• InChI: InChI=1S/C18H29N5O2/c1-5-21-8-6-14(7-9-21)17(24)22-10-11-23-15(12-22)19-13(2)16(23)18(25)20(3)4/h14H,5-12H2,1-4H3
• InChIKey: QLDGLROYNCBCIW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 7-(1-ethylpiperidine-4-carbonyl)-N,N,2-trimethyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC传统名: 7-(1-ethylpiperidine-4-carbonyl)-N,N,2-trimethyl-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• 别名: 7-[(1-ethylpiperidin-4-yl)carbonyl]-N,N,2-trimethyl-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: 0
• LogD (pH = 5.5): -3.9047415
• LogD (pH = 7.4): -2.3186586
• Log P: -0.658818
• 摩尔折射率: 97.8971 cm^3
• 极化性: 36.98379 Å^3
• 极化表面积: 61.68 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: -0.45
• LOG S: -2.66
• 极化表面积: 61.68 Å^2
• 可自由旋转的化学键: 3