HCID59436214

1-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

1-(2-fluoro-4-iodophenyl)-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

C20H14FIN4O2488.3 g/mol

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IDENTITY

结构与身份

标准 SMILES: COc1cn(-c2ccc(I)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
InChIKey: ZAQMYXUQFUTLQE-UHFFFAOYSA-N
分子式: C20H14FIN4O2
平均分子量: 488.3 g/mol
单同位素质量: 488.01455

COMPUTED

结构计算性质

已同步

XLogP: 4.5
极性表面积: 59.7 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 4
重原子: 28
形式电荷: 0
复杂度: 652

ALIASES

名称与别名

共 3 条

SCHEMBL518973ZAQMYXUQFUTLQE-UHFFFAOYSA-N1-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

REACTIONS

参与反应

125 条

全部作为反应物作为生成物作为试剂作为催化剂作为溶剂

HRID96265

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

作为反应物

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HRID99703

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

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HRID159588

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

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

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HRID186323

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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HRID203276

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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HRID210058

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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HRID675200

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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HRID684073

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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