Basic information
- Standard SMILES
Cl.Cl.Cn1cnc(-c2nnc3c4cc(-c5ccccc5)c(-c5ccc(C6(N)CCC6)cc5)nc4ccn23)c1- InChIKey
KKTSXPBXQSTJEU-UHFFFAOYSA-N- Molecular formula
- C29H27Cl2N7
- Average molar mass
- 544.5 g/mol
Names & identifiers
- Preferred name
- 1-{4-[3-(1-methyl-1H-imidazol-4-yl)-9-phenyl[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]phenyl}cyclobutanamine dihydrochloride
- IUPAC
- 1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclobutan-1-amine;dihydrochloride
Names & synonyms
SCHEMBL2032884KKTSXPBXQSTJEU-UHFFFAOYSA-N1-{4-[3-(1-methyl-1H-imidazol-4-yl)-9-phenyl[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]phenyl}cyclobutanamine dihydrochloride
Database identifiers
- PubChem CID
- 24809588
Properties
Computed structural properties
- Topological polar surface area
- 86.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 759
Related reactions
2 records
Compound notes
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