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
Grundinformationen
- Standard-SMILES
CCN1c2ncc(CCc3ccncc3)cc2C(=O)N(C)c2ccc(F)nc21- InChIKey
ULVUURBFDYVMPY-UHFFFAOYSA-N- Summenformel
- C21H20FN5O
- Durchschnittliche Molmasse
- 377,4 g/mol
- Monoisotopische Masse
- 377,16518844
Namen und Bezeichner
- Bevorzugter Name
- 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
Namen und Synonyme
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
Datenbank-Bezeichner
- PubChem CID
- 470745
- ChEMBL
CHEMBL100833- Nikkaji
- J992.941J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 62,2 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 28
- Formalladung
- 0
- Komplexität
- 543
Zugehörige Reaktionen
3
Notizen zur Verbindung
Wird geladen…