HCID66563486

2-[4-[5-Amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridyl]-2-methyl-propanenitrile

2-[4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridinyl]-2-methylpropanenitrile

C23H22N8O426.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CNCc1ccc(-c2nnc(-c3nc(-c4ccnc(C(C)(C)C#N)c4)cnc3N)o2)cc1
InChIKey: RGJSYRAEGDFIBY-UHFFFAOYSA-N
分子式: C23H22N8O
平均分子量: 426.5 g/mol
单同位素质量: 426.19165736

COMPUTED

结构计算性质

已同步

XLogP: 1.2
极性表面积: 139 Å²
氢键供体: 2
氢键受体: 9
可旋转键: 6
重原子: 32
形式电荷: 0
复杂度: 658

ALIASES

名称与别名

共 3 条

SCHEMBL12989335RGJSYRAEGDFIBY-UHFFFAOYSA-N2-[4-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]-2-pyridyl]-2-methyl-propanenitrile

REACTIONS

参与反应

1 条

uspto-grants-2014_11 · 10.6084/m9.figshare.5104873.v1 · US08877759B2

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