HCID69197020

1h-Pyrrolo[2,3-c]pyridine-5-carboxylic acid,1-[(2,4-difluorophenyl)methyl]-3-[(dimethylamino)methyl]-,methyl ester

methyl 1-[(2,4-difluorophenyl)methyl]-3-[(dimethylamino)methyl]pyrrolo[2,3-c]pyridine-5-carboxylate

C19H19F2N3O2359.4 g/mol

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1cc2c(CN(C)C)cn(Cc3ccc(F)cc3F)c2cn1
InChIKey: HIFMPNTVFRTRFV-UHFFFAOYSA-N
分子式: C19H19F2N3O2
平均分子量: 359.4 g/mol
单同位素质量: 359.14453318

COMPUTED

结构计算性质

已同步

XLogP: 2.7
极性表面积: 47.4 Å²
氢键供体: 0
氢键受体: 6
可旋转键: 6
重原子: 26
形式电荷: 0
复杂度: 493

ALIASES

名称与别名

共 5 条

1h-pyrrolo[2,3-c]pyridine-5-carboxylic acid,1-[(2,4-difluorophenyl)methyl]-3-[(dimethylamino)methyl]-,methyl ester868551-60-4SCHEMBL4802055HIFMPNTVFRTRFV-UHFFFAOYSA-Nmethyl 1-(2,4-difluorobenzyl)-3-[(dimethylamino)methyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxylate

REACTIONS

参与反应

2 条

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

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uspto-grants-2008_12 · 10.6084/m9.figshare.5104873.v1 · US07468375B2

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