Palupiprant
4-[(1S)-1-[[3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carbonyl]amino]ethyl]benzoic acid
Molecular Identity
Palupiprant
4-[(1S)-1-[[3-(difluoromethyl)-1-methyl-5-[3-(trifluoromethyl)phenoxy]pyrazole-4-carbonyl]amino]ethyl]benzoic acid
PubChem CID: 56944705
2D Structure
Properties
C22H18F5N3O4
Molecular Formula
483.40
Molecular Weight
g/mol
483.1217
Exact Mass
Da
4.3
XLogP
Drug-like (Lipinski: < 5)
93.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
717
Complexity
SMILES
Canonical SMILES
SMILES: CC(C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(N(N=C2C(F)F)C)OC3=CC=CC(=C3)C(F)(F)FIsomeric SMILES
SMILES: C[C@@H](C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(N(N=C2C(F)F)C)OC3=CC=CC(=C3)C(F)(F)FSynonyms(20)
1369489-71-3E7046E-7046PALUPIPRANTER-886046YWY620GU8IBenzoic acid, 4-((1S)-1-(((3-(difluoromethyl)-1-methyl-5-(3-(trifluoromethyl)phenoxy)-1H-pyrazol-4-yl)carbonyl)amino)ethyl)-AN0025ER 886046E 7046RefChem:169781EP4 Inhibitor E7046EP4 Antagonist E7046AN 0025AN-0025
Data from PubChem (NCBI)
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