6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-2-(5-fluoro-1H-indol-3-yl)-5,11-dihydro-5-methyl-
Basic information
- CAS
192189-27-8- Standard SMILES
CCN1c2ncccc2C(=O)N(C)c2ccc(-c3c[nH]c4ccc(F)cc34)nc21- InChIKey
CTZQRKLSJGUVRV-UHFFFAOYSA-N- Molecular formula
- C22H18FN5O
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 387.14953838
Names & identifiers
- Preferred name
- 6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-2-(5-fluoro-1H-indol-3-yl)-5,11-dihydro-5-methyl-
- IUPAC
- 2-ethyl-5-(5-fluoro-1H-indol-3-yl)-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Names & synonyms
192189-27-86H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-2-(5-fluoro-1H-indol-3-yl)-5,11-dihydro-5-methyl-6H-Dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one, 11-ethyl-2-(5-fluoro-1H-indol-3-yl)-5,11-dihydro-5-methyl-11-ethyl-2-(5-fluoro-1h-indol-3-yl)-5-methyl-5,11-dihydro-6h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-oneCHEMBL80118BDBM20162-indolyl dipyridodiazepinone 7cDTXSID7017278311-ethyl-2-(5-fluoro-1H-indol-3-yl)-5-methyl-dipyrido[[?],[?]][1,4]diazepin-6-one2-ethyl-5-(5-fluoro-1H-indol-3-yl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one5,11-Dihydro-11-ethyl-2-(5-fluoroindol-3-yl)-5-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one
Database identifiers
- CAS
192189-27-8- PubChem CID
- 466845
- DTXSID
DTXSID70172783- ChEMBL
CHEMBL80118- Nikkaji
- J865.115I
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 620
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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