Basic information
- Standard SMILES
Cn1cnc(-c2nnc3c4cc(-c5ccccc5)c(-c5ccc(C6(N7C(=O)c8ccccc8C7=O)CC(=O)C6)cc5)nc4ccn23)c1- InChIKey
QQBZQWGZOGDGFH-UHFFFAOYSA-N- Molecular formula
- C37H25N7O3
- Average molar mass
- 615.6 g/mol
Names & identifiers
- Preferred name
- 2-(1-{4-[3-(1-methyl-1H-imidazol-4-yl)-9-phenyl[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]phenyl}-3-oxocyclobutyl)-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]-3-oxocyclobutyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL1674545QQBZQWGZOGDGFH-UHFFFAOYSA-N2-(1-{4-[3-(1-methyl-1H-imidazol-4-yl)-9-phenyl[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]phenyl}-3-oxocyclobutyl)-1H-isoindole-1,3(2H)-dione
Database identifiers
- PubChem CID
- 58229852
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,200
Related reactions
2 records
Compound notes
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