Basic information
- Standard SMILES
Cc1cnc(C)c(N2CC3CN(C(=O)c4ccc(F)cc4-n4nccn4)CC3C2)n1- InChIKey
FXOPOHQZYZVMKV-UHFFFAOYSA-N- Molecular formula
- C21H22FN7O
- Average molar mass
- 407.4 g/mol
- Monoisotopic mass
- 407.18698651
Names & identifiers
- Preferred name
- 2-(3,6-Dimethylpyrazin-2-yl)-5-{[4-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}octahydropyrrolo[3,4-c]pyrrole
- IUPAC
- [2-(3,6-dimethylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[4-fluoro-2-(triazol-2-yl)phenyl]methanone
Names & synonyms
SCHEMBL1670971CHEMBL3649066SCHEMBL30465891FXOPOHQZYZVMKV-UHFFFAOYSA-NBDBM118451US8653263, 1042-(3,6-Dimethylpyrazin-2-yl)-5-{[4-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]carbonyl}octahydropyrrolo[3,4-c]pyrrole
Database identifiers
- PubChem CID
- 52917751
- ChEMBL
CHEMBL3649066
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 618
Related reactions
2 records
Compound notes
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