Inupadenant
7-amino-10-[2-[4-[2,4-difluoro-5-[2-[(S)-methylsulfinyl]ethoxy]phenyl]piperazin-1-yl]ethyl]-4-(furan-2-yl)-12-thia-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-11-one
Molecular Identity
Inupadenant
7-amino-10-[2-[4-[2,4-difluoro-5-[2-[(S)-methylsulfinyl]ethoxy]phenyl]piperazin-1-yl]ethyl]-4-(furan-2-yl)-12-thia-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-11-one
PubChem CID: 135346794
2D Structure
Properties
C25H26F2N8O4S2
Molecular Formula
604.70
Molecular Weight
g/mol
604.1487
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
180
TPSA
May have limited oral absorption
1
H-Bond Donors
14
H-Bond Acceptors
955
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
InupadenantInupadenant [INN]Inupadenant [USAN]EOS100850HQ700V0X06EOS-100850INUPADENANT [WHO-DD]UNII-HQ700V0X06Thiazolo(5,4-E)(1,2,4)triazolo(1,5-C)pyrimidin-2(3H)-one, 5-amino-3-(2-(4-(2,4-difluoro-5-(2-((S)-methylsulfinyl)ethoxy)phenyl)-1-piperazinyl)ethyl)-8-(2-furanyl)-Thiazolo(5,4-E)(1,2,4)triazolo(1,5-C)pyrimidin-2(3H)-one, 5-amino-3-(2-(4-(2,4-difluoro-5-(2-(methylsulfinyl)ethoxy)phenyl)-1-piperazinyl)ethyl)-8-(2-furanyl)-, (+)-RefChem:148466A2A Receptor Antagonist EOS100850EOS 100850(+)-5-AMINO-3-(2-(4-(2,4-DIFLUORO-5-(2-((S)-METHANESULFINYL)ETHOXY)PHENYL)PIPERAZIN-1-YL)ETHYL)-8-(FURAN-2-YL)THIAZOLO(5,4-E)(1,2,4)TRIAZOLO(1,5-C)PYRIMIDIN-2(3H)-ONE2246607-08-7
Data from PubChem (NCBI)
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