Basic information
- Standard SMILES
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC3CNCC3C2)c(-c2cncnc2)c1- InChIKey
ZVGZEJREISVKSZ-UHFFFAOYSA-N- Molecular formula
- C23H21F3N6O2
- Average molar mass
- 470.4 g/mol
- Monoisotopic mass
- 470.16780842
Names & identifiers
- Preferred name
- 6-(hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
- IUPAC
- 6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
Names & synonyms
6-(hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideSCHEMBL15393170
Database identifiers
- PubChem CID
- 89908073
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 687
Related reactions
1 records
Compound notes
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