Basic information
- Standard SMILES
Cn1cnc(-c2nnc3c4cc(-c5ccccc5)c(-c5ccc(C6(N)CC7(C6)OCCO7)cc5)nc4ccn23)c1- InChIKey
UVRAHCKXVDXYGR-UHFFFAOYSA-N- Molecular formula
- C31H27N7O2
- Average molar mass
- 529.6 g/mol
Names & identifiers
- Preferred name
- 2-{4-[3-(1-methyl-1H-imidazol-4-yl)-9-phenyl[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]phenyl}-5,8-dioxaspiro[3.4]octan-2-amine
- IUPAC
- 2-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]-5,8-dioxaspiro[3.4]octan-2-amine
Names & synonyms
SCHEMBL1674693UVRAHCKXVDXYGR-UHFFFAOYSA-N2-{4-[3-(1-methyl-1H-imidazol-4-yl)-9-phenyl[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]phenyl}-5,8-dioxaspiro[3.4]octan-2-amine
Database identifiers
- PubChem CID
- 24809587
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 894
Related reactions
3 records
Compound notes
Loading…