HCID44199730

(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methyl-cyclohexyl)-methanone

(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methylcyclohexyl)methanone

C14H16BrN3O322.2 g/molCAS 1184852-24-1

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IDENTITY

结构与身份

标准SMILES: CC1(C(=O)c2c[nH]c3ncc(Br)nc23)CCCCC1
InChIKey: CHTUASWDDGPFEG-UHFFFAOYSA-N
分子式: C14H16BrN3O
平均分子量: 322.2 g/mol
单同位素质量: 321.04767

COMPUTED

结构计算性质

已同步

XLogP: 3.5
极性表面积: 58.6 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 19
形式电荷: 0
复杂度: 357

ALIASES

名称与别名

共 6 条

(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methyl-cyclohexyl)-methanone1184852-24-1SCHEMBL651420CHTUASWDDGPFEG-UHFFFAOYSA-NDTXSID401159086(2-Bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)(1-methylcyclohexyl)methanone

REACTIONS

参与反应

31 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-2011_05 · 10.6084/m9.figshare.5104873.v1 · US07939531B2

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