9-(3-bromo-4-fluorophenyl)-2-methyl-2,3,5,9-tetrahydropyrano[3,4-b]pyrrolo[3,4-e]pyridine-1,8(4H,7H)-dione

HCID 9821906
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CN1CC2=C(C1=O)C(c1ccc(F)c(Br)c1)C1=C(COCC1=O)N2
InChIKey
QDTMVJADNZUMQR-UHFFFAOYSA-N
Molecular formula
C17H14BrFN2O3
Average molar mass
393.2 g/mol

Names & identifiers

Preferred name
9-(3-bromo-4-fluorophenyl)-2-methyl-2,3,5,9-tetrahydropyrano[3,4-b]pyrrolo[3,4-e]pyridine-1,8(4H,7H)-dione
IUPAC
8-(3-bromo-4-fluorophenyl)-5-methyl-12-oxa-2,5-diazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10-dione

Names & synonyms

CHEMBL108723SCHEMBL5074865QDTMVJADNZUMQR-UHFFFAOYSA-N9-(3-bromo-4-fluorophenyl)-2-methyl-2,3,5,9-tetrahydropyrano[3,4-b]pyrrolo[3,4-e]pyridine-1,8(4H,7H)-dione

Database identifiers

PubChem CID
9821906
ChEMBL
CHEMBL108723

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
58.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
24

Related reactions

2 records
New reaction record

Compound notes

Loading…