HCID59596540

1-cyclopropyl-3-(2-fluoro-4-iodo-phenylamino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid methyl ester

methyl 1-cyclopropyl-3-(2-fluoro-4-iodoanilino)pyrrolo[3,2-c]pyridine-2-carboxylate

C18H15FIN3O2451.2 g/mol

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IDENTITY

结构与身份

标准 SMILES: COC(=O)c1c(Nc2ccc(I)cc2F)c2cnccc2n1C1CC1
InChIKey: JXBMKFMDVGRNCZ-UHFFFAOYSA-N
分子式: C18H15FIN3O2
平均分子量: 451.2 g/mol
单同位素质量: 451.0193

COMPUTED

结构计算性质

已同步

XLogP: 4.4
极性表面积: 56.2 Å²
氢键供体: 1
氢键受体: 5
可旋转键: 5
重原子: 25
形式电荷: 0
复杂度: 507

ALIASES

名称与别名

共 4 条

SCHEMBL1920476JXBMKFMDVGRNCZ-UHFFFAOYSA-N1-cyclopropyl-3-(2-fluoro-4-iodo-phenylamino)-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid methyl ester1-Cyclopropyl-3-(2-fluoro-4-iodo-phenylamino)-1H-pyrrolo[32-c]pyridine-2-carboxylic acid methyl ester

REACTIONS

参与反应

6 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

HRID942659

Validation data from https://doi.org/10.1039/C8SC04228D

作为反应物

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

查看条件与参与物

HRID1141409

Training data from https://doi.org/10.1039/C8SC04228D (7/10)

作为反应物

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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HRID2264950

uspto-grants-2010_12

作为生成物

uspto-grants-2010_12 · 10.6084/m9.figshare.5104873.v1 · US07855216B2

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HRID2264971

uspto-grants-2010_12

作为反应物

uspto-grants-2010_12 · 10.6084/m9.figshare.5104873.v1 · US07855216B2

查看条件与参与物

HRID2264975

uspto-grants-2010_12

作为反应物

uspto-grants-2010_12 · 10.6084/m9.figshare.5104873.v1 · US07855216B2

查看条件与参与物

HRID2344580

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

作为生成物

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

查看条件与参与物