Basic information
- Standard SMILES
COc1ccc(C(=O)N2CC3CN(c4cnc5cc(F)c(F)cc5n4)CC3C2)c(-n2nccn2)c1- InChIKey
KHNZLGDUDGKTRY-UHFFFAOYSA-N- Molecular formula
- C24H21F2N7O2
- Average molar mass
- 477.5 g/mol
- Monoisotopic mass
- 477.17247926
Names & identifiers
- Preferred name
- (5-(6,7-Difluoroquinoxalin-2-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
- IUPAC
- [2-(6,7-difluoroquinoxalin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-methoxy-2-(triazol-2-yl)phenyl]methanone
Names & synonyms
SCHEMBL6925300CHEMBL3652522KHNZLGDUDGKTRY-UHFFFAOYSA-NBDBM118733US8653263, 389(5-(6,7-Difluoroquinoxalin-2-yl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)(4-methoxy-2-(2H-1,2,3-triazol-2-yl)phenyl)methanone
Database identifiers
- PubChem CID
- 69939348
- ChEMBL
CHEMBL3652522
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 760
Related reactions
2 records
Compound notes
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