HCID178424628

Edicotinib Hydrochloride

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)-3-pyridinyl]-1H-imidazole-2-carboxamide;hydrochloride

C27H36ClN5O2498.1 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CC1(C)CC=C(c2nc(C3CC(C)(C)OC(C)(C)C3)ccc2NC(=O)c2nc(C#N)c[nH]2)CC1.Cl
InChIKey: GDFIUUZLRLJTSJ-UHFFFAOYSA-N
分子式: C27H36ClN5O2
平均分子量: 498.1 g/mol
单同位素质量: 497.2557531

COMPUTED

结构计算性质

已同步

极性表面积: 104 Å²
氢键供体: 3
氢键受体: 5
可旋转键: 4
重原子: 35
形式电荷: 0
复杂度: 838

ALIASES

名称与别名

共 20 条

Edicotinib hydrochloride1559069-92-9JNJ-40346527 HCIVV40HB3E58Edicotinib hydrochloride [USAN]UNII-VV40HB3E58Edicotinib hydrochloride (USAN)1H-Imidazole-2-carboxamide, 5-cyano-N-(2-(4,4-dimethyl-1-cyclohexen-1-yl)-6-(tetrahydro-2,2,6,6-tetramethyl-2H-pyran-4-yl)-3-pyridinyl)-, hydrochloride (1:1)4-CYANO-N-(2-(4,4-DIMETHYLCYCLOHEX-1-EN-1-YL)-6-(2,2,6,6-TETRAMETHYLOXAN-4-YL)PYRIDIN-3-YL)-1H-IMIDAZOLE-2-CARBOXAMIDE MONOHYDROCHLORIDE4-Cyano-N-[2-(4,4-dimethylcyclohex-1-en-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)pyridin-3-yl]-1H-imidazole-2-carboxamide monohydrochlorideRefChem:136291JNJ-40346527-AACEdicotinib HClorb1739036SCHEMBL4231840CHEMBL4297225GDFIUUZLRLJTSJ-UHFFFAOYSA-N5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-6-(2,2,6,6-tetramethyloxan-4-yl)pyridin-3-yl]-1H-imidazole-2-carboxamide;hydrochlorideD113794-cyano-1h-imidazole-2-carboxylic acid[2-(4,4-dimethyl-cyclohex-1-enyl)-6-(2,2,6,6-tetramethyl-tetrahydro-pyran-4-yl)-pyridin-3-yl]-amide hydrochloride salt

REACTIONS

参与反应

1 条

uspto-grants-2013_07 · 10.6084/m9.figshare.5104873.v1 · US08497376B2

查看