HCID46906718

4-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}benzoic acid

4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid

C22H17ClF3N3O2447.8 g/mol

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IDENTITY

结构与身份

标准 SMILES: O=C(O)c1ccc(-c2cnc3c(c2)N(Cc2cc(Cl)ccc2C(F)(F)F)CCN3)cc1
InChIKey: BXIKNVHYEXACIR-UHFFFAOYSA-N
分子式: C22H17ClF3N3O2
平均分子量: 447.8 g/mol
单同位素质量: 447.096139

COMPUTED

结构计算性质

已同步

XLogP: 5.2
极性表面积: 65.5 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 4
重原子: 31
形式电荷: 0
复杂度: 630

ALIASES

名称与别名

共 5 条

CHEMBL11635104-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}benzoic acidSCHEMBL1600437BDBM503210574-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydro-pyrido[2,3-b]pyrazin-7-yl}benzoic acid

REACTIONS

参与反应

275 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

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

作为反应物

HRID 89975 方程式

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)

作为反应物

HRID 91473 方程式

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)

作为反应物

HRID 97708 方程式

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)

作为反应物

HRID 98158 方程式

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)

作为反应物

HRID 101413 方程式

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)

作为反应物

HRID 102178 方程式

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

作为反应物

HRID 104459 方程式

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)

作为反应物

HRID 108973 方程式

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

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