HCID178436940

5-Ethyl-2-fluoro-4-{3-[5-(6-phenoxy-pyridine-3-sulfonyl)-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-[(6-phenoxy-3-pyridinyl)sulfonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl]phenol

C32H27FN6O4S610.7 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(S(=O)(=O)c3ccc(Oc5ccccc5)nc3)C4)n[nH]c2c1
InChIKey: ZAZCOTLEJQPTSN-UHFFFAOYSA-N
分子式: C32H27FN6O4S
平均分子量: 610.7 g/mol
单同位素质量: 610.1798527

COMPUTED

结构计算性质

已同步

XLogP: 5.1
极性表面积: 145 Å²
氢键供体: 3
氢键受体: 9
可旋转键: 7
重原子: 44
形式电荷: 0
复杂度: 1,080

ALIASES

名称与别名

共 4 条

CHEMBL3644622SCHEMBL14658518ZAZCOTLEJQPTSN-UHFFFAOYSA-N5-Ethyl-2-fluoro-4-{3-[5-(6-phenoxy-pyridine-3-sulfonyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-6-yl}-phenol

REACTIONS