HCID178516038

2-fluoro-4-[3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-(2,2,2-trifluoro-ethyl)-phenol

2-fluoro-4-[3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-(2,2,2-trifluoroethyl)phenol

C21H17F4N5O431.4 g/mol

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IDENTITY

结构与身份

标准SMILES: Oc1cc(CC(F)(F)F)c(-c2ccc3c(-c4nc5c([nH]4)CCNC5)n[nH]c3c2)cc1F
InChIKey: FEXBSMXSUJGLBK-UHFFFAOYSA-N
分子式: C21H17F4N5O
平均分子量: 431.4 g/mol
单同位素质量: 431.13692283

COMPUTED

结构计算性质

已同步

XLogP: 3.6
极性表面积: 89.6 Å²
氢键供体: 4
氢键受体: 8
可旋转键: 3
重原子: 31
形式电荷: 0
复杂度: 639

ALIASES

名称与别名

共 3 条

2-fluoro-4-[3-(4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-5-(2,2,2-trifluoro-ethyl)-phenolSCHEMBL14658469ZDGKFVBWEZMPIB-UHFFFAOYSA-N

REACTIONS

参与反应

29 条