Preladenant
4-(furan-2-yl)-10-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
Molecular Identity
Preladenant
4-(furan-2-yl)-10-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine
PubChem CID: 10117987
2D Structure
Properties
C25H29N9O3
Molecular Formula
503.60
Molecular Weight
g/mol
503.2393
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
125
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
722
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Preladenant377727-87-2SCH-420814Sch 420814SCH420814MK-3814950O97NUPODTXSID901912197H-Pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine, 2-(2-furanyl)-7-(2-(4-(4-(2-methoxyethoxy)phenyl)-1-piperazinyl)ethyl)-preladenantumRefChem:868474DTXCID501137104-(furan-2-yl)-10-(2-(4-(4-(2-methoxyethoxy)phenyl)piperazin-1-yl)ethyl)-3,5,6,8,10,11-hexaazatricyclo(7.3.0.0^(2,6))dodeca-1(9),2,4,7,11-pentaen-7-amineUNII-950O97NUPOMFCD17167056
Data from PubChem (NCBI)
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