Firuglipel
4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
Molecular Identity
Firuglipel
4-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
PubChem CID: 56959560
2D Structure
Properties
C25H26FN3O5
Molecular Formula
467.50
Molecular Weight
g/mol
467.1856
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
115
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
700
Complexity
SMILES
Canonical SMILES
SMILES: CCC(C1=NC(=NO1)C2=CC(=C(C=C2)C(=O)NC(C)CO)F)OC3=CC=C(C=C3)C(=O)C4CC4Isomeric SMILES
SMILES: CC[C@H](C1=NC(=NO1)C2=CC(=C(C=C2)C(=O)N[C@H](C)CO)F)OC3=CC=C(C=C3)C(=O)C4CC4Synonyms(20)
Firuglipel1371591-51-3DS-8500a08P99TX2294-[5-[(1R)-1-[4-(cyclopropanecarbonyl)phenoxy]propyl]-1,2,4-oxadiazol-3-yl]-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamide4-(5-((1R)-1-(4-(Cyclopropanecarbonyl)phenoxy)propyl)-1,2,4-oxadiazol-3-yl)-2-fluoro-N-((2R)-1-hydroxypropan-2-yl)benzamideBenzamide, 4-(5-((1R)-1-(4-(cyclopropylcarbonyl)phenoxy)propyl)-1,2,4-oxadiazol-3-yl)-2-fluoro-N-((1R)-2-hydroxy-1-methylethyl)-firuglipelumRefChem:140477Firuglipel [INN]4-(5-((R)-1-(4-(Cyclopropanecarbonyl)phenoxy)propyl)-1,2,4-oxadiazol-3-yl)-2-fluoro-N-((R)-1-hydroxypropan-2-yl)benzamide4-{5-[(1R)-1-(4-cyclopropanecarbonylphenoxy)propyl]-1,2,4-oxadiazol-3-yl}-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamideA1D8Morb1707310CHEMBL5314955
Data from PubChem (NCBI)
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