(2-{4,4-Dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}-4-{5-[(6-methoxypyridazin-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}pyridin-3-yl)methyl Acetate (HCID 86684554)

基本情報

標準SMILES: COc1ccc(Nc2cc(-c3ccnc(N4CCn5c(cc6c5CC(C)(C)C6)C4=O)c3COC(C)=O)cn(C)c2=O)nn1
InChIKey: WAUVADUJPPQXSF-UHFFFAOYSA-N
分子式: C31H33N7O5
平均分子量: 583.6 g/mol

名称と識別子

優先名称: (2-{4,4-Dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}-4-{5-[(6-methoxypyridazin-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}pyridin-3-yl)methyl Acetate
IUPAC: [2-(4,4-dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl)-4-[5-[(6-methoxypyridazin-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-3-pyridinyl]methyl acetate

名称と別名

SCHEMBL14912547SCHEMBL29742129WAUVADUJPPQXSF-UHFFFAOYSA-N(2-{4,4-Dimethyl-9-oxo-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),7-dien-10-yl}-4-{5-[(6-methoxypyridazin-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}pyridin-3-yl)methyl Acetate

データベース識別子

PubChem CID: 86684554

物性

構造計算による物性

XLogP: 2.1
極性表面積: 132 Å²
水素結合供与体数: 1
水素結合受容体数: 9
回転可能結合数: 8
重原子数: 43
形式電荷: 0
複雑度: 1,170

化合物ノート

読み込み中…