5-Cyano-N-[[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methyl]-1,2-dihydro-6-(methylthio)-2-oxo-3-pyridinecarboxamide
Basic information
- CAS
1173069-64-1- Standard SMILES
CSc1[nH]c(=O)c(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1C#N- InChIKey
HZCWQNYJGJXRLC-UHFFFAOYSA-N- Molecular formula
- C24H18FN5O2S
- Average molar mass
- 459.5 g/mol
- Monoisotopic mass
- 459.11652417
Names & identifiers
- Preferred name
- 5-Cyano-N-[[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methyl]-1,2-dihydro-6-(methylthio)-2-oxo-3-pyridinecarboxamide
- IUPAC
- 5-cyano-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-6-methylsulfanyl-2-oxo-1H-pyridine-3-carboxamide
Names & synonyms
DTXSID901105660AKOS0341626151173069-64-1Z3161531785-Cyano-N-[[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methyl]-1,2-dihydro-6-(methylthio)-2-oxo-3-pyridinecarboxamide
Database identifiers
- CAS
1173069-64-1- PubChem CID
- 32062352
- DTXSID
DTXSID901105660
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 867
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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