Basic information
- Standard SMILES
CCn1c(=O)c(-c2cc(C(=O)O)cc(F)c2C)nc2cnn(-c3ccc(F)cc3F)c21- InChIKey
SLGWNXVEEWVJOW-UHFFFAOYSA-N- Molecular formula
- C21H15F3N4O3
- Average molar mass
- 428.4 g/mol
Names & identifiers
- Preferred name
- 3-(1-(2,4-difluorophenyl)-7-ethyl-6-oxo-6,7-dihydro-1H-pyrazolo[4,3-b]pyrazin-5-yl)-5-fluoro-4-methylbenzoic acid
- IUPAC
- 3-[1-(2,4-difluorophenyl)-7-ethyl-6-oxopyrazolo[4,5-b]pyrazin-5-yl]-5-fluoro-4-methylbenzoic acid
Names & synonyms
SCHEMBL1883729SLGWNXVEEWVJOW-UHFFFAOYSA-N3-(1-(2,4-difluorophenyl)-7-ethyl-6-oxo-6,7-dihydro-1H-pyrazolo[4,3-b]pyrazin-5-yl)-5-fluoro-4-methylbenzoic acid
Database identifiers
- PubChem CID
- 67199604
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 753
Related reactions
4 records
Compound notes
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