Azd-8529
7-methyl-5-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
Molecular Identity
Azd-8529
7-methyl-5-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
PubChem CID: 25125217
2D Structure
Properties
C24H24F3N5O3
Molecular Formula
487.50
Molecular Weight
g/mol
487.1831
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
83.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
730
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC2=C1C(=O)N(C2)CC3=CC=C(C=C3)OC(F)(F)F)C4=NC(=NO4)CN5CCNCC5Isomeric SMILES
SMILES: CC1=CC(=CC2=C1C(=O)N(C2)CC3=CC=C(C=C3)OC(F)(F)F)C4=NC(=NO4)CN5CCNCC5Synonyms(20)
AZD-85291092453-15-0AZD85297-methyl-5-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one6H81G454I7AZD 85297-Methyl-5-(3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl)-2-(4-(trifluoromethoxy)benzyl)-1-oxo-2,3-dihydro-1H-isoindole7-Methyl-5-(3-piperazin-1-ylmethyl-(1,2,4)oxadiazol-5-yl)-2-(4-trifluoromethoxybenzyl)-2,3-dihydroisoindol-1-one7-methyl-5-(3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl)-2-((4-(trifluoromethoxy)phenyl)methyl)-3H-isoindol-1-one7-methyl-5-(3-piperazin-1-ylmethyl-[1,2,4]oxadiazol-5-yl)-2-(4-trifluoromethoxybenzyl)-2,3-dihydroisoindol-1-oneRefChem:116052AZD-8529 free baseCHEMBL39379077-Methyl-5-(3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl)-2-(4-(trifluoromethoxy)benzyl)isoindolin-1-one1092453-15-0 (free base)
Data from PubChem (NCBI)
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