Basic information
- Standard SMILES
Cc1noc(-c2cc3nccc(Oc4ccc(NC(=O)c5c(C)n(CC(C)(C)O)n(-c6ccccc6)c5=O)cc4F)c3s2)n1- InChIKey
KTHBTMQUMOBCSP-UHFFFAOYSA-N- Molecular formula
- C31H27FN6O5S
- Average molar mass
- 614.6 g/mol
Names & identifiers
- Preferred name
- N-(3-fluoro-4-(2-(3-methyl-1,2,4-oxadiazol-5-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
- IUPAC
- N-[3-fluoro-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
Names & synonyms
SCHEMBL198256KTHBTMQUMOBCSP-UHFFFAOYSA-NN-(3-fluoro-4-(2-(3-methyl-1,2,4-oxadiazol-5-yl)thieno[3,2-b]pyridin-7-yloxy)phenyl)-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide
Database identifiers
- PubChem CID
- 11963145
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,110
Related reactions
3 records
Compound notes
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