HCID178436913

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

5-ethyl-2-fluoro-4-[3-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol

C31H27FN6O518.6 g/mol

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IDENTITY

结构与身份

标准SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(-c3nc4c([nH]3)CCN(Cc3cnc5ccccc5c3)C4)n[nH]c2c1
InChIKey: KMVWVUJNPYIYKE-UHFFFAOYSA-N
分子式: C31H27FN6O
平均分子量: 518.6 g/mol
单同位素质量: 518.22303767

COMPUTED

结构计算性质

已同步

XLogP: 5.3
极性表面积: 93.7 Å²
氢键供体: 3
氢键受体: 6
可旋转键: 5
重原子: 39
形式电荷: 0
复杂度: 835

ALIASES

名称与别名

共 4 条

CHEMBL3644636SCHEMBL14658732KMVWVUJNPYIYKE-UHFFFAOYSA-N5-Ethyl-2-fluoro-4-[3-(5-quinolin-3-ylmethyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-6-yl]-phenol

REACTIONS