2-Cyclopropyl-5,7-dimethyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

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Basic information

CAS: 135794-77-3
Standard SMILES: Cc1cc(C)c2c(n1)N(C1CC1)c1ncccc1C(=O)N2
InChIKey: RUFQBYAUEBPVOC-UHFFFAOYSA-N
Molecular formula: C16H16N4O
Average molar mass: 280.32 g/mol
Monoisotopic mass: 280.13241115

Names & identifiers

Preferred name: 2-Cyclopropyl-5,7-dimethyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
IUPAC: 2-cyclopropyl-5,7-dimethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

Names & synonyms

Dipyridodiazepinone deriv. 4CHEMBL15411BDBM1519SCHEMBL8299453DTXSID201019901135794-77-32-cyclopropyl-5,7-dimethyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one11-cyclopropyl-2,4-dimethyl-5H-dipyrido[[?],[?]][1,4]diazepin-6-one11-Cyclopropyl-2,4-dimethyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one11-cyclopropyl-2,4-dimethyl-5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

Database identifiers

CAS: 135794-77-3
PubChem CID: 463134
DTXSID: DTXSID201019901
ChEMBL: CHEMBL15411
Nikkaji: J597.712F

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 58.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 21
Formal charge: 0
Complexity: 425

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Compound notes

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