uspto-grants-2005_09 · 10.6084/m9.figshare.5104873.v1 · US06949546B2
查看![5-(3-{(3R,4R)-1-tert-butoxycarbonyl-3-[(S)-3-(4-fluoro-benzyl)-piperidine-1-carbonyl]-piperidin-4-yl}-ureido)-indazole-1-carboxylic acid t-butyl ester 分子结构式](/api/mol/69748723/svg/360x280.svg)
HCID69748723
5-(3-{(3R,4R)-1-tert-butoxycarbonyl-3-[(S)-3-(4-fluoro-benzyl)-piperidine-1-carbonyl]-piperidin-4-yl}-ureido)-indazole-1-carboxylic acid t-butyl ester
tert-butyl 5-[[(3R,4R)-3-[(3S)-3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]indazole-1-carboxylate
C36H47FN6O6678.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Nc2ccc3c(cnn3C(=O)OC(C)(C)C)c2)[C@H](C(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)C1
- InChIKey
- MPJHEPFHPPBDNR-TUMTZTIRSA-N
- 分子式
- C36H47FN6O6
- 平均分子量
- 678.8 g/mol
- 单同位素质量
- 678.3541114
COMPUTED
结构计算性质
- XLogP
- 5.7
- 极性表面积
- 135 Ų
- 氢键供体
- 2
- 氢键受体
- 8
- 可旋转键
- 9
- 重原子
- 49
- 形式电荷
- 0
- 复杂度
- 1,180
ALIASES
名称与别名
SCHEMBL6348200MPJHEPFHPPBDNR-TUMTZTIRSA-N5-(3-{(3R,4R)-1-tert-butoxycarbonyl-3-[(S)-3-(4-fluoro-benzyl)-piperidine-1-carbonyl]-piperidin-4-yl}-ureido)-indazole-1-carboxylic acid t-butyl ester
REACTIONS
参与反应