基本情報
- 標準SMILES
CCOC(=O)c1cnc2c(c(C)nn2C)c1N(Cc1cccnc1)S(=O)(=O)c1ccc(OC)cc1- InChIKey
QKYDMXQEAXMTHR-UHFFFAOYSA-N- 分子式
- C24H25N5O5S
- 平均分子量
- 495.6 g/mol
- 単同位体質量
- 495.15764009
名称と識別子
- 優先名称
- Ethyl 4-[(4-methoxybenzenesulfonyl)pyridin-3-ylmethylamino]-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
- IUPAC
- ethyl 4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
名称と別名
SCHEMBL6289971QKYDMXQEAXMTHR-UHFFFAOYSA-Nethyl 4-[(4-methoxy-benzenesulfonyl)pyridin-3-ylmethylamino]-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-carboxylateethyl 4-[(4-methoxybenzenesulfonyl) pyridin-3-ylmethylamino]-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-carboxylateEthyl 4-[(4-methoxybenzenesulfonyl)pyridin -3-ylmethylamino] -1,3- dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylateEthyl 4-[(4-methoxybenzenesulfonyl)pyridin -3-ylmethylamino]-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylateethyl 4-[(4-methoxybenzenesulfonyl)pyridin-3-_ylmethylamino]-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-carboxylateEthyl 4-[(4-methoxybenzenesulfonyl)pyridin-3-ylmethylamino]-1, 3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylateethyl 4-[(4-methoxybenzenesulfonyl)pyridin-3-ylmethylamino]-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-5-carboxylateEthyl 4-[(4-methoxybenzenesulfonyl)pyridin-3-ylmethylamino]-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
データベース識別子
- PubChem CID
- 12044790
物性
構造計算による物性
- XLogP
- 2.6
- 極性表面積
- 125 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
- 9
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 816
関連反応
11 件
化合物ノート
読み込み中…