1-Methyl-1H-indazole-3-carboxylic acid-(1S,2S,5R)-[7,7-difluoro-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-3-aza-bicyclo[3.3.0]oct-2-ylmethyl]-amide

HCID 25154191
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基本信息

标准SMILES
Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CC(F)(F)C[C@@H]3[C@H]2CNC(=O)c2nn(C)c3ccccc23)c1
InChIKey
HIAISCJZENQSSU-IEIRFRATSA-N
分子式
C29H29F2N5O2S
平均分子量
549.6 g/mol

名称与标识

首选名称
1-Methyl-1H-indazole-3-carboxylic acid-(1S,2S,5R)-[7,7-difluoro-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-3-aza-bicyclo[3.3.0]oct-2-ylmethyl]-amide
IUPAC
N-[[(3S,3aS,6aR)-5,5-difluoro-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-3-yl]methyl]-1-methylindazole-3-carboxamide

名称与别名

1-Methyl-1H-indazole-3-carboxylic acid-(1S,2S,5R)-[7,7-difluoro-3-(2-methyl-5-m-tolyl-thiazole-4-carbonyl)-3-aza-bicyclo[3.3.0]oct-2-ylmethyl]-amideSCHEMBL496584

数据库标识

PubChem CID
25154191

性质

结构计算性质

XLogP
5.6
极性表面积
108 Ų
氢键供体
1
氢键受体
7
可旋转键
5
重原子
39

相关反应

1 条
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