HCID52917751

2-(3,6-Dimethylpyrazin-2-yl)-5-{[4-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}octahydropyrrolo[3,4-c]pyrrole

[2-(3,6-dimethylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-fluoro-2-(triazol-2-yl)phenyl]methanone

C21H22FN7O407.4 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cnc(C)c(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1
InChIKey: FXOPOHQZYZVMKV-UHFFFAOYSA-N
分子式: C21H22FN7O
平均分子量: 407.4 g/mol
单同位素质量: 407.18698651

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 80 Å²
氢键供体: 0
氢键受体: 7
可旋转键: 3
重原子: 30
形式电荷: 0
复杂度: 618

ALIASES

名称与别名

共 7 条

SCHEMBL1670971CHEMBL3649066SCHEMBL30465891FXOPOHQZYZVMKV-UHFFFAOYSA-NBDBM118451US8653263, 1042-(3,6-Dimethylpyrazin-2-yl)-5-{[4-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}octahydropyrrolo[3,4-c]pyrrole

REACTIONS

参与反应

2 条

uspto-grants-2014_02 · 10.6084/m9.figshare.5104873.v1 · US08653263B2

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uspto-grants-2015_07 · 10.6084/m9.figshare.5104873.v1 · US09079911B2

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