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

HCID 67199604

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

Related reactions

4 records

Compound notes

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