2-Ethyl-9-methyl-10-oxo-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-hexaene-5-carbonitrile
Grundinformationen
- Standard-SMILES
CCN1c2ncc(CCc3ccncc3)cc2C(=O)N(C)c2ccc(C#N)nc21- InChIKey
VDSWAYVUYIUVIN-UHFFFAOYSA-N- Summenformel
- C22H20N6O
- Durchschnittliche Molmasse
- 384,4 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 2-Ethyl-9-methyl-10-oxo-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-hexaene-5-carbonitrile
- IUPAC
- 2-ethyl-9-methyl-10-oxo-13-(2-pyridin-4-ylethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-5-carbonitrile
Namen und Synonyme
BDBM2095CHEMBL101998SCHEMBL6958186VDSWAYVUYIUVIN-UHFFFAOYSA-N2,8-substituted dipyridodiazepinone 3811-ethyl-5-methyl-6-oxo-8-[2-(4-pyridyl)ethyl]dipyrido[[?],[?]][1,4]diazepine-2-carbonitrile2-Cyano-5,11-dihydro-11-ethyl-8-[2-(4-pyridyl)ethyl]-5-methyl -6H-dipyrido-[3,2-b:2',3'-e][1,4]diazepin-6-one2-ethyl-9-methyl-10-oxo-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-hexaene-5-carbonitrile5,11-Dihydro-2-cyano-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
- 470747
- ChEMBL
CHEMBL101998- Nikkaji
- J992.940A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 86 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 626
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…