Elecoglipron
3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-7-[(4S)-2,2-dimethyloxan-4-yl]indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one
Molecular Identity
Elecoglipron
3-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-7-[(4S)-2,2-dimethyloxan-4-yl]indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID: 169644648
2D Structure
Properties
C48H46F2N10O5
Molecular Formula
880.90
Molecular Weight
g/mol
880.3621
Exact Mass
Da
6.5
XLogP
Above Lipinski threshold
144
TPSA
May have limited oral absorption
1
H-Bond Donors
10
H-Bond Acceptors
1970
Complexity
SMILES
Canonical SMILES
SMILES: CC1C2=C(N(N=C2CCN1C(=O)C3=C(N4C=CC(=CC4=C3)C5CCOC(C5)(C)C)C6(CC6)C7=NOC(=O)N7)C8=CC(=C(C=C8)F)C9CC9)N1C=CN(C1=O)C1=C(C2=C(C=C1)N(N=C2)C)FIsomeric SMILES
SMILES: C[C@H]1C2=C(N(N=C2CCN1C(=O)C3=C(N4C=CC(=CC4=C3)[C@H]5CCOC(C5)(C)C)C6(CC6)C7=NOC(=O)N7)C8=CC(=C(C=C8)F)C9CC9)N1C=CN(C1=O)C1=C(C2=C(C=C1)N(N=C2)C)FSynonyms(16)
ElecoglipronAZD5004AZD-50043011682-49-53-[1-[2-[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-7-[(4S)-2,2-dimethyloxan-4-yl]indolizin-3-yl]cyclopropyl]-4H-1,2,4-oxadiazol-5-oneelecoglipron [INN]Elecoglipron (USAN/INN)ELECOGLIPRON [USAN]G94JJ74N5YSCHEMBL25054448GTPL14376YQF2762ECC-5004D133451,2,4-Oxadiazol-5(2H)-one, 3-[1-[2-[[(4S)-2-(3-cyclopropyl-4-fluorophenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2,3-dihydro-2-oxo-1H-imidazol-1-yl]-2,4,6,7-tetrahydro-4-methyl-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl]-7-[(4S)-tetrahydro-2,2-dimethyl-2H-pyran-4-yl]-3-indolizinyl]cyclopropyl]-
Data from PubChem (NCBI)
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