uspto-grants-2001_01 · 10.6084/m9.figshare.5104873.v1 · US06180627B2
查看![2-[3-({[(2R)-1-isobutylpyrrolidinyl]methyl}amino)-6-methyl-2-oxo-1(2H)-pyrazinyl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide 分子结构式](/api/mol/59900537/svg/360x280.svg)
HCID59900537
2-[3-({[(2R)-1-isobutylpyrrolidinyl]methyl}amino)-6-methyl-2-oxo-1(2H)-pyrazinyl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
N-[(3-methyl-1H-indol-5-yl)methyl]-2-[6-methyl-3-[[(2R)-1-(2-methylpropyl)pyrrolidin-2-yl]methylamino]-2-oxopyrazin-1-yl]acetamide
C26H36N6O2464.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- Cc1c[nH]c2ccc(CNC(=O)Cn3c(C)cnc(NC[C@H]4CCCN4CC(C)C)c3=O)cc12
- InChIKey
- KAONJGCLPRAGRN-OAQYLSRUSA-N
- 分子式
- C26H36N6O2
- 平均分子量
- 464.6 g/mol
- 单同位素质量
- 464.28997441
COMPUTED
结构计算性质
- XLogP
- 2.9
- 极性表面积
- 92.8 Ų
- 氢键供体
- 3
- 氢键受体
- 4
- 可旋转键
- 9
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 809
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL7022822KAONJGCLPRAGRN-OAQYLSRUSA-N2-[3-({[(2R)-1-isobutylpyrrolidinyl]methyl}amino)-6-methyl-2-oxo-1(2H)-pyrazinyl]-N-[(3-methyl-1H-indol-5-yl)methyl]acetamide
REACTIONS
参与反应
uspto-grants-2002_07 · 10.6084/m9.figshare.5104873.v1 · US06417203B1
查看