HCID59722555

N-{(6S,9R)-6-(2,3-Difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl}-4-(3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

N-[(6S,9R)-6-(2,3-difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl]-4-(3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide

C30H31F5N8O2630.6 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1c(=O)n(C2CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)Cn4c3nnc4C3(C(F)(F)F)CC3)CC2)c2cccnc21
InChIKey: QKEQFURXFZLBAH-DYESRHJHSA-N
分子式: C30H31F5N8O2
平均分子量: 630.6 g/mol
单同位素质量: 630.24901307

COMPUTED

结构计算性质

等待补全

XLogP: 3.2
极性表面积: 99.5 Å²
氢键供体: 1
氢键受体: 10
可旋转键: 4
重原子: 45
形式电荷: 0
复杂度: 1,120

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 2 条

N-{(6S,9R)-6-(2,3-Difluorophenyl)-3-[1-(trifluoromethyl)cyclopropyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-9-yl}-4-(3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamideSCHEMBL2526780

REACTIONS

参与反应

1 条

uspto-grants-2011_10 · 10.6084/m9.figshare.5104873.v1 · US08039460B2

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