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Basic information
- Standard SMILES
Nc1ncc(-c2noc(-c3cnn4c(C(F)(F)F)cc(-c5ccc(Cl)c(Cl)c5)nc34)n2)cn1- InChIKey
QPJRXDBZKNHFSA-UHFFFAOYSA-N- Molecular formula
- C19H9Cl2F3N8O
- Average molar mass
- 493.2 g/mol
- Monoisotopic mass
- 492.0228468
Names & identifiers
- Preferred name
- 5-{5-[5-(3,4-Dichloro-phenyl)-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-3-yl]-[1,2,4]oxadiazol-3-yl}-pyrimidin-2-ylamine
- IUPAC
- 5-[5-[5-(3,4-dichlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
Names & synonyms
5-{5-[5-(3,4-Dichloro-phenyl)-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidin-3-yl]-[1,2,4]oxadiazol-3-yl}-pyrimidin-2-ylamineSCHEMBL313152
Database identifiers
- PubChem CID
- 16068024
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 688
Related reactions
3 records
Compound notes
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