2-Ethyl-5-fluoro-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
基本情報
- 標準SMILES
CCN1c2ncc(CCc3ccncc3)cc2C(=O)N(C)c2ccc(F)nc21- InChIKey
ULVUURBFDYVMPY-UHFFFAOYSA-N- 分子式
- C21H20FN5O
- 平均分子量
- 377.4 g/mol
- 単同位体質量
- 377.16518844
名称と識別子
- 優先名称
- 2-Ethyl-5-fluoro-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
- IUPAC
- 2-ethyl-5-fluoro-9-methyl-13-(2-pyridin-4-ylethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
名称と別名
BDBM2096CHEMBL100833SCHEMBL6955583ULVUURBFDYVMPY-UHFFFAOYSA-N2,8-Substituted Dipyridodiazepinone 3911-ethyl-2-fluoro-5-methyl-8-[2-(4-pyridyl)ethyl]dipyrido[[?],[?]][1,4]diazepin-6-one2-ethyl-5-fluoro-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one5,11-Dihydro-11-ethyl-2-fluoro-8-[2-(pyrid-4-yl)ethyl]-5-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5,11-Dihydro-2-fluoro-11-ethyl-5-methyl-8-[2-(pyrid-4-yl)ethyl]-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
データベース識別子
- PubChem CID
- 470745
- ChEMBL
CHEMBL100833- Nikkaji
- J992.941J
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 62.2 Ų
- 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
- 4
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 543
関連反応
3 件
化合物ノート
読み込み中…