HCID86683708

(S)-5-bromo-3-(5-(2-ethyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-ylamino)-1-methylpyridin-2(1H)-one

5-bromo-3-[[5-[(2S)-2-ethyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one

C20H26BrN5O2448.4 g/mol

查看相关反应登录后使用结构检索

IDENTITY

结构与身份

标准SMILES: CC[C@H]1CN(C2COC2)CCN1c1ccc(Nc2cc(Br)cn(C)c2=O)nc1
InChIKey: CZVKGFHEDVMLNL-HNNXBMFYSA-N
分子式: C20H26BrN5O2
平均分子量: 448.4 g/mol
单同位素质量: 447.12699

COMPUTED

结构计算性质

已同步

XLogP: 2.4
极性表面积: 60.9 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 5
重原子: 28
形式电荷: 0
复杂度: 651

ALIASES

名称与别名

共 5 条

SCHEMBL14915771SCHEMBL29741878CZVKGFHEDVMLNL-HNNXBMFYSA-N(5)-5-Bromo-3-(5-(2-ethyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-ylamino)-1-methylpyridin-2(1H)-one(S)-5-bromo-3-(5-(2-ethyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-ylamino)-1-methylpyridin-2(1H)-one

REACTIONS