(3R)-1-{3-[1-(4-ethylphenyl)-1H-imidazol-5-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine

HCID 71114548

基本情報

標準SMILES: CCc1ccc(-n2cncc2-c2nn(C)c3ncnc(N4CC[C@@H](N(C)C)C4)c23)cc1
InChIKey: WGEDBIQFFXBVEU-GOSISDBHSA-N
分子式: C23H28N8
平均分子量: 416.5 g/mol

名称と識別子

優先名称: (3R)-1-{3-[1-(4-ethylphenyl)-1H-imidazol-5-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
IUPAC: (3R)-1-[3-[3-(4-ethylphenyl)imidazol-4-yl]-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine

名称と別名

(3R)-1-{3-[1-(4-ethylphenyl)-1H-imidazol-5-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine(3R)-1-{3-[1-(4-ethylphenyl)-1H-imidazol-5-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-N,N-dimethylpyrrolidin-3-amineCHEMBL3676180SCHEMBL14243344WGEDBIQFFXBVEU-GOSISDBHSA-NBDBM130954US8829010, 5

データベース識別子

PubChem CID: 71114548
ChEMBL: CHEMBL3676180

物性

構造計算による物性

XLogP: 3.1
極性表面積: 67.9 Å²
水素結合供与体数: 0
水素結合受容体数: 6
回転可能結合数: 5
重原子数: 31
形式電荷: 0
複雑度: 594