4-[2,5-dihydro-3-methyl-2,5-dioxo-4-[5-(piperazin-1-yl)pentyl]-1H-pyrrol-1-yl]-2-(trifluoromethyl)benzonitrile

HCID 22562427

基本情報

標準SMILES
CC1=C(CCCCCN2CCNCC2)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O
InChIKey
OFSRUXUZNFPBGA-UHFFFAOYSA-N
分子式
C22H25F3N4O2
平均分子量
434.5 g/mol

名称と識別子

優先名称
4-[2,5-dihydro-3-methyl-2,5-dioxo-4-[5-(piperazin-1-yl)pentyl]-1H-pyrrol-1-yl]-2-(trifluoromethyl)benzonitrile
IUPAC
4-[3-methyl-2,5-dioxo-4-(5-piperazin-1-ylpentyl)pyrrol-1-yl]-2-(trifluoromethyl)benzonitrile

名称と別名

4-[2,5-dihydro-3-methyl-2,5-dioxo-4-[5-(piperazin-1-yl)pentyl]-1H-pyrrol-1-yl]-2-(trifluoromethyl)benzonitrileSCHEMBL64834934-[2,5-dihydro-3-methyl-2,5-dioxo-4-[5-(piperazin-1-yl)-pentyl]-1H-pyrrol-1-yl]-2-(trifluoromethyl)benzonitrile4-[2,5-dihydro-3-methyl-2,5-dioxo-4-[5-(piperazin-1-yl)pentyl]-1H-pyrrol-1- yl]-2-(trifluoromethyl)benzonitrile4-[2,5-dihydro-3-methyl-2,5-dioxo-4-[5-(piperazin-1-yl)pentyl]-1H-pyrrol-1yl]-2-(trifluoromethyl)benzonitrile

データベース識別子

PubChem CID
22562427

物性

構造計算による物性

XLogP
2.9
極性表面積
76.4 Ų
水素結合供与体数
1
水素結合受容体数
8
回転可能結合数
7
重原子数
31

関連反応

6 件

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