5-Fluoro-2-{4-[7-trifluoromethylimidazo[1,2-alpha]pyrimidin-3-yl]pyrimidin-2-yl}benzonitrile
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Basic information
- Standard SMILES
N#Cc1cc(F)ccc1-c1nccc(-c2cnc3nc(C(F)(F)F)ccn23)n1- InChIKey
AUGPSKUNKLVTHF-UHFFFAOYSA-N- Molecular formula
- C18H8F4N6
- Average molar mass
- 384.3 g/mol
Names & identifiers
- Preferred name
- 5-Fluoro-2-{4-[7-trifluoromethylimidazo[1,2-alpha]pyrimidin-3-yl]pyrimidin-2-yl}benzonitrile
- IUPAC
- 5-fluoro-2-[4-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]pyrimidin-2-yl]benzonitrile
Names & synonyms
5-fluoro-2-{4-[7-trifluoromethylimidazo[1,2-alpha]pyrimidin-3-yl]pyrimidin-2-yl}benzonitrileSCHEMBL5768855
Database identifiers
- PubChem CID
- 10200020
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 607
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Related reactions
1 records
Compound notes
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