(R)-1-cyclopropyl-3-(2-(3,5-dimethyl-1-tosyl-1H-indazol-4-yl)-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)propane-1,3-dione
基本情報
- 標準SMILES
CO[C@@H]1CCN(c2nc(-c3c(C)ccc4c3c(C)nn4S(=O)(=O)c3ccc(C)cc3)nc3c2CN(C(=O)CC(=O)C2CC2)CC3)CC1(C)C- InChIKey
IJOMXBDFIXRPGI-WJOKGBTCSA-N- 分子式
- C37H44N6O5S
- 平均分子量
- 684.8 g/mol
名称と識別子
- 優先名称
- (R)-1-cyclopropyl-3-(2-(3,5-dimethyl-1-tosyl-1H-indazol-4-yl)-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)propane-1,3-dione
- IUPAC
- 1-cyclopropyl-3-[2-[3,5-dimethyl-1-(4-methylphenyl)sulfonylindazol-4-yl]-4-[(4R)-4-methoxy-3,3-dimethylpiperidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propane-1,3-dione
名称と別名
SCHEMBL14671802IJOMXBDFIXRPGI-WJOKGBTCSA-N(R)-1-cyclopropyl-3-(2-(3,5-dimethyl-1-tosyl-1H-indazol-4-yl)-4-(4-methoxy-3,3-dimethylpiperidin-1-yl)-7,8-dihydropyrido[4,3-d]pyrimidin-6(5H)-yl)propane-1,3-dione
データベース識別子
- PubChem CID
- 86690285
物性
構造計算による物性
- XLogP
- 5.2
- 極性表面積
- 136 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 9
- 回転可能結合数
- 8
- 重原子数
- 49
- 形式電荷
- 0
- 複雑度
- 1,330
関連反応
1 件
化合物ノート
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