5-Chloro-2-ethyl-9-methyl-13-{[(2-methylpyridin-4-yl)oxy]methyl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Grundinformationen
- Standard-SMILES
CCN1c2ncc(COc3ccnc(C)c3)cc2C(=O)N(C)c2ccc(Cl)nc21- InChIKey
QTKKWORDBGQVCP-UHFFFAOYSA-N- Summenformel
- C21H20ClN5O2
- Durchschnittliche Molmasse
- 409,9 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 5-Chloro-2-ethyl-9-methyl-13-{[(2-methylpyridin-4-yl)oxy]methyl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
- IUPAC
- 5-chloro-2-ethyl-9-methyl-13-[(2-methyl-4-pyridinyl)oxymethyl]-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
BDBM2047CHEMBL100445SCHEMBL6956935QTKKWORDBGQVCP-UHFFFAOYSA-N2,8-disubstituted dipyridodiazepinone 302-chloro-11-ethyl-5-methyl-8-[(2-methyl-4-pyridyl)oxymethyl]dipyrido[[?],[?]][1,4]diazepin-6-one2-Chloro-5,11-dihydro-11-ethyl-8-(2-methyl-4-pyridinyloxy)methyl-5-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one2-chloro-5,11-dihydro-11-ethyl-8-(2-methylpyrid-4-yloxy)methyl-5-methyl-6H-dipyrido[3,2-b;2',3'-e][1,4]diazepin-6-one5-chloro-2-ethyl-9-methyl-13-{[(2-methylpyridin-4-yl)oxy]methyl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one8-(2-Methyl-4-pyridinyloxy)methyl-2-chloro-5,11-dihydro-11-ethyl-5-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
Datenbank-Bezeichner
- PubChem CID
- 470697
- ChEMBL
CHEMBL100445
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 71,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 581
Zugehörige Reaktionen
1
Notizen zur Verbindung
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