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

HCID 24809587

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

Related reactions

3 records

Compound notes

Loading…