HCID118076358

(S)-1-(5-cyclobutoxy-7,8-difluoro-2-methyl-6-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)ethanone

1-[(2S)-5-cyclobutyloxy-7,8-difluoro-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C24H30F2N4O2444.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(=O)N1c2c(F)c(F)c(-c3cnn(C4CCNCC4)c3)c(OC3CCC3)c2CC[C@@H]1C
InChIKey: ROVUUBNJOXIYGB-AWEZNQCLSA-N
分子式: C24H30F2N4O2
平均分子量: 444.5 g/mol
单同位素质量: 444.23368254

COMPUTED

结构计算性质

已同步

XLogP: 3.2
极性表面积: 59.4 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 4
重原子: 32
形式电荷: 0
复杂度: 674

ALIASES

名称与别名

共 3 条

SCHEMBL16717892ROVUUBNJOXIYGB-AWEZNQCLSA-N(S)-1-(5-cyclobutoxy-7,8-difluoro-2-methyl-6-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)ethanone

REACTIONS

参与反应

1 条

uspto-grants-2016_07 · 10.6084/m9.figshare.5104873.v1 · US09388161B2

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