Molecules/2-((S)-1-((2S,5R)-5-(4-chloro-5-fluoro-2-(trifluoromethyl)phenyl)tetrahydrofuran-2-yl)ethyl)-7-(4-methyl-1H-imidazol-1-yl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-dione
2-((S)-1-((2S,5R)-5-(4-chloro-5-fluoro-2-(trifluoromethyl)phenyl)tetrahydrofuran-2-yl)ethyl)-7-(4-methyl-1H-imidazol-1-yl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-dione
2-[(1S)-1-[(2S,5R)-5-[4-chloro-5-fluoro-2-(trifluoromethyl)phenyl]oxolan-2-yl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
Molecular Identity
2-((S)-1-((2S,5R)-5-(4-chloro-5-fluoro-2-(trifluoromethyl)phenyl)tetrahydrofuran-2-yl)ethyl)-7-(4-methyl-1H-imidazol-1-yl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-dione
2-[(1S)-1-[(2S,5R)-5-[4-chloro-5-fluoro-2-(trifluoromethyl)phenyl]oxolan-2-yl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID: 73441910
2D Structure
Properties
C25H23ClF4N4O3
Molecular Formula
538.90
Molecular Weight
g/mol
538.1395
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
67.7
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
991
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CN(C=N1)C2=CC=C3C(=O)N(CCN3C2=O)C(C)C4CCC(O4)C5=CC(=C(C=C5C(F)(F)F)Cl)FIsomeric SMILES
SMILES: CC1=CN(C=N1)C2=CC=C3C(=O)N(CCN3C2=O)[C@@H](C)[C@@H]4CC[C@@H](O4)C5=CC(=C(C=C5C(F)(F)F)Cl)FSynonyms(20)
PF-066486711587727-31-82-((S)-1-((2S,5R)-5-(4-chloro-5-fluoro-2-(trifluoromethyl)phenyl)tetrahydrofuran-2-yl)ethyl)-7-(4-methyl-1H-imidazol-1-yl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-dione2-[(1S)-1-[(2S,5R)-5-[4-chloro-5-fluoro-2-(trifluoromethyl)phenyl]oxolan-2-yl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dioneorb1702951CHEMBL3951810SCHEMBL15611304GTPL13411AKCDDYGYIGPEKL-JQOQJDEVSA-NBDBM193081EX-A10489AKOS040746221compound 22 [PMID: 38848667]CID 73441910HY-120789
Data from PubChem (NCBI)
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Molecular Structure
2-((S)-1-((2S,5R)-5-(4-chloro-5-fluoro-2-(trifluoromethyl)phenyl)tetrahydrofuran-2-yl)ethyl)-7-(4-methyl-1H-imidazol-1-yl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-dione
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Drug Network
Trials and conditions connected to 2-((S)-1-((2S,5R)-5-(4-chloro-5-fluoro-2-(trifluoromethyl)phenyl)tetrahydrofuran-2-yl)ethyl)-7-(4-methyl-1H-imidazol-1-yl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-dione
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