HCID67237978

Methyl 6-((1R,2S)-2-(tert-butoxycarbonylamino)cyclohexylamino)-4-cyano-2-(1-ethyl-1H-pyrazol-4-yl)nicotinate

methyl 4-cyano-2-(1-ethylpyrazol-4-yl)-6-[[(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]pyridine-3-carboxylate

C24H32N6O4468.5 g/mol

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IDENTITY

结构与身份

标准SMILES: CCn1cc(-c2nc(N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C)cc(C#N)c2C(=O)OC)cn1
InChIKey: PFFCSYOWHCAIQQ-MSOLQXFVSA-N
分子式: C24H32N6O4
平均分子量: 468.5 g/mol
单同位素质量: 468.24850352

COMPUTED

结构计算性质

已同步

XLogP: 3.1
极性表面积: 131 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 9
重原子: 34
形式电荷: 0
复杂度: 762

ALIASES

名称与别名

共 4 条

SCHEMBL1986764PFFCSYOWHCAIQQ-MSOLQXFVSA-Nmethyl 6-((1R,2S)-2-(tert-butoxycarbonylamino)cyclohexyl-amino)-4-cyano-2-(1-ethyl-1H-pyrazol-4-yl)nicotinateMethyl 6-((1R,2S)-2-(tert-butoxycarbonylamino)cyclohexylamino)-4-cyano-2-(1-ethyl-1H-pyrazol-4-yl)nicotinate

REACTIONS