IL-17A inhibitor 1
N-[(S)-(4,4-difluorocyclohexyl)-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
Molecular Identity
IL-17A inhibitor 1
N-[(S)-(4,4-difluorocyclohexyl)-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID: 154642729
2D Structure
Properties
C24H27F5N8O4
Molecular Formula
586.50
Molecular Weight
g/mol
586.2075
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
140
TPSA
May have limited oral absorption
2
H-Bond Donors
13
H-Bond Acceptors
954
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NON=C1C(=O)NC(C2CCC(CC2)(F)F)C3=CN4C(=N3)C=C(C=N4)C(COC)N5CC(NC5=O)C(F)(F)FIsomeric SMILES
SMILES: CC1=NON=C1C(=O)N[C@@H](C2CCC(CC2)(F)F)C3=CN4C(=N3)C=C(C=N4)[C@@H](COC)N5C[C@H](NC5=O)C(F)(F)FSynonyms(20)
IL-17A inhibitor 12452464-73-0LY3509754N-((S)-(4,4-Difluorocyclohexyl)(7-((S)-2-methoxy-1-((S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl)ethyl)imidazo[1,2-b]pyridazin-2-yl)methyl)-4-methyl-1,2,5-oxadiazole-3-carboxamideN-[(S)-(4,4-difluorocyclohexyl)-[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamideLY-35097541,2,5-Oxadiazole-3-carboxamide, N-[(S)-(4,4-difluorocyclohexyl)[7-[(1S)-2-methoxy-1-[(4S)-2-oxo-4-(trifluoromethyl)-1-imidazolidinyl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-orb1298087CHEMBL5595819SCHEMBL22207566GTPL13164MVWVCLAORBNXSD-UWVAXJGDSA-NBDBM727048EX-A7985US12252491, Example 24
Data from PubChem (NCBI)
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