Aleniglipron
3-[(1S,2S)-1-[2-[(4S)-3-[3-[4-diethylphosphoryl-3-(methylamino)phenyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one
Molecular Identity
Aleniglipron
3-[(1S,2S)-1-[2-[(4S)-3-[3-[4-diethylphosphoryl-3-(methylamino)phenyl]-2-oxoimidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-2-methylcyclopropyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID: 164809721
2D Structure
Properties
C49H55FN9O6P
Molecular Formula
916.00
Molecular Weight
g/mol
915.3997
Exact Mass
Da
6.7
XLogP
Above Lipinski threshold
156
TPSA
May have limited oral absorption
2
H-Bond Donors
10
H-Bond Acceptors
1950
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(13)
Aleniglipron2685823-26-9Z6XCL6R9SXRefChem:1076327aleniglipron [INN]orb2664969CHEMBL6068040SCHEMBL23748580SCHEMBL29981727EX-A151261,2,4-Oxadiazol-5(2H)-one, 3-[(1S,2S)-1-[2-[[(4S)-3-[3-[4-(diethylphosphinyl)-3-(methylamino)phenyl]-2,3-dihydro-2-oxo-1H-imidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl]-5-(tetrahydro-2H-pyran-4-yl)-1H-indol-1-yl]-2-methylcyclopropyl]-3-((1S,2S)-1-(2-((S)-3-(3-(4-(diethylphosphoryl)-3-(methylamino)phenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-5-carbonyl)-5-(tetrahydro-2H-pyran-4-yl)-1H-indol-1-yl )-2-methylcyclopropyl)-1,2,4-oxadiazol-5(4H)-one3-[(1S,2S)-1-[2-[[(4S)-3-[3-[4-(Diethylphosphinyl)-3-(methylamino)phenyl]-2,3-dihydro-2-oxo-1H-imidazol-1-yl]-2-(4-fluoro-3,5-dimethylphenyl)-2,4,6,7-tetrahydro-4-methyl-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl]-5-(tetrahydro-2H-pyran-4-yl)-1H-indol-1-yl]-2-methylcyclopropyl]-1,2,4-oxadiazol-5(2H)-one
Data from PubChem (NCBI)
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