2-(4,6-Dimethylpyrimidin-2-yl)-5-{[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbonyl}octahydropyrrolo[3,4-c]pyrrole

HCID 67116830
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Basic information

Standard SMILES
Cc1cc(C)nc(N2CC3CN(C(=O)c4c(F)cccc4-c4nc(C)no4)CC3C2)n1
InChIKey
VVFSMYQBZMZJFX-UHFFFAOYSA-N
Molecular formula
C22H23FN6O2
Average molar mass
422.5 g/mol
Monoisotopic mass
422.18665216

Names & identifiers

Preferred name
2-(4,6-Dimethylpyrimidin-2-yl)-5-{[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbonyl}octahydropyrrolo[3,4-c]pyrrole
IUPAC
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone

Names & synonyms

SCHEMBL1672279CHEMBL3652462VVFSMYQBZMZJFX-UHFFFAOYSA-NBDBM118662US8653263, 3152-(4,6-Dimethylpyrimidin-2-yl)-5-{[2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbonyl}octahydropyrrolo[3,4-c]pyrrole

Database identifiers

PubChem CID
67116830
ChEMBL
CHEMBL3652462

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
88.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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