uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822470B2
查看![(S)-N-cyclopropyl-6-(4-((6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-3-yl)methyl)piperazin-1-yl)nicotinamide 分子结构式](/api/mol/58324375/svg/360x280.svg)
HCID58324375
(S)-N-cyclopropyl-6-(4-((6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-3-yl)methyl)piperazin-1-yl)nicotinamide
N-cyclopropyl-6-[4-[[(10S)-9-oxo-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
C25H31N7O2461.6 g/mol
IDENTITY
结构与身份
- 标准SMILES
- O=C(NC1CC1)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)[C@@H]3CCCCN43)CC2)nc1
- InChIKey
- FZWWANDEDKIQPP-NRFANRHFSA-N
- 分子式
- C25H31N7O2
- 平均分子量
- 461.6 g/mol
- 单同位素质量
- 461.25392326
COMPUTED
结构计算性质
- XLogP
- 1.7
- 极性表面积
- 93.7 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 5
- 重原子
- 34
- 形式电荷
- 0
- 复杂度
- 754
物化、安全与法规信息正在同步。
ALIASES
名称与别名
SCHEMBL708792FZWWANDEDKIQPP-NRFANRHFSA-N(S)-N-cyclopropyl-6-(4-((6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-3-yl)methyl)piperazin-1-yl)nicotinamide
REACTIONS
