HCID16095403

3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(aminocarbonyl)phenyl]-1H-pyrazole-5-carboxamide

3-bromo-N-(2-carbamoyl-4-cyano-6-methylphenyl)-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide

C18H12BrClN6O2459.7 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1cc(C#N)cc(C(N)=O)c1NC(=O)c1cc(Br)nn1-c1ncccc1Cl
InChIKey: FBKMHTCFYMDDCK-UHFFFAOYSA-N
分子式: C18H12BrClN6O2
平均分子量: 459.7 g/mol
单同位素质量: 457.98936

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 127 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 4
重原子: 28
形式电荷: 0
复杂度: 657

ALIASES

名称与别名

共 6 条

SCHEMBL959387SCHEMBL29377007SCHEMBL31059983FBKMHTCFYMDDCK-UHFFFAOYSA-N1H-Pyrazole-5-carboxamide, N-[2-(aminocarbonyl)-4-cyano-6-methylphenyl]-3-bromo-1-(3-chloro-2-pyridinyl)-3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(aminocarbonyl)phenyl]-1H-pyrazole-5-carboxamide

REACTIONS

参与反应

4 条

uspto-grants-2011_01 · 10.6084/m9.figshare.5104873.v1 · US07875634B2

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uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08475819B2

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uspto-grants-2007_07 · 10.6084/m9.figshare.5104873.v1 · US07247647B2

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uspto-grants-2015_10 · 10.6084/m9.figshare.5104873.v1 · US09161540B2

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