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: CCP(=O)(CC)C1=C(C=C(C=C1)N2C=CN(C2=O)C3=C4C(N(CCC4=NN3C5=CC(=C(C(=C5)C)F)C)C(=O)C6=CC7=C(N6C8(CC8C)C9=NOC(=O)N9)C=CC(=C7)C1CCOCC1)C)NCIsomeric SMILES
SMILES: CCP(=O)(CC)C1=C(C=C(C=C1)N2C=CN(C2=O)C3=C4[C@@H](N(CCC4=NN3C5=CC(=C(C(=C5)C)F)C)C(=O)C6=CC7=C(N6[C@]8(C[C@@H]8C)C9=NOC(=O)N9)C=CC(=C7)C1CCOCC1)C)NCSynonyms(20)
Aleniglipron2685823-26-9Z6XCL6R9SXRefChem:1076327GSBR1290GSBR-1290GSBR10012903-[(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-onealeniglipron [INN]Aleniglipron (USAN/INN)ALENIGLIPRON [USAN]orb2664969CHEMBL6068040SCHEMBL23748580SCHEMBL29981727
Data from PubChem (NCBI)
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Drug Network
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