1-[[3-[(1S,5R)-3-[3-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;6-methyl-7-oxo-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidine-3-carbonitrile;7-methyl-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

C168H161F3N54O16 — CID 162008215

About 1-[[3-[(1S,5R)-3-[3-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;6-methyl-7-oxo-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidine-3-carbonitrile;7-methyl-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

1-[[3-[(1S,5R)-3-[3-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;6-methyl-7-oxo-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidine-3-carbonitrile;7-methyl-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 162008215) has the molecular formula C168H161F3N54O16 and a molecular weight of 3249.49 g/mol. Its IUPAC name is 1-[[3-[(1S,5R)-3-[3-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;6-methyl-7-oxo-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidine-3-carbonitrile;7-methyl-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.

Molecular Properties

• Compound Name: 1-[[3-[(1S,5R)-3-[3-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;6-methyl-7-oxo-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidine-3-carbonitrile;7-methyl-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
• PubChem CID: 162008215
• Molecular Formula: C168H161F3N54O16
• Molecular Weight: 3249.49 g/mol
• Exact Mass: 3247.34
• IUPAC Name: 1-[[3-[(1S,5R)-3-[3-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;6-methyl-7-oxo-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidine-3-carbonitrile;7-methyl-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
• SMILES: Cc1ccc(C2(F)CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1ccc(C2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1ccc(N2C[C@@H]3C(c4noc(Cn5cnc6nccc(C)c6c5=O)n4)[C@@H]3C2)cc1.Cc1ccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)cc1.Cc1cccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cn1cnc2c(C#N)nn(Cc3nc(C4[C@H]5CN(c6ccccc6)C[C@@H]45)no3)c2c1=O.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6cccc(C(C)(F)F)c6)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccccc6)C[C@@H]45)no3)c(=O)c21
• InChI: InChI=1S/C23H22N6O2.C22H21F2N7O2.C21H18N8O2.2C21H21N7O2.C20H19FN6O2.C20H19N7O2.C20H20N6O2/c1-13-3-5-15(6-4-13)28-9-16-17(10-28)20(16)22-26-18(31-27-22)11-29-12-25-21-19(23(29)30)14(2)7-8-24-21;1-22(23,24)12-4-3-5-13(6-12)30-7-14-15(8-30)17(14)19-27-16(33-28-19)9-31-11-26-20-18(21(31)32)29(2)10-25-20;1-27-11-23-18-15(7-22)25-29(19(18)21(27)30)10-16-24-20(26-31-16)17-13-8-28(9-14(13)17)12-5-3-2-4-6-12;1-12-3-5-13(6-4-12)27-7-14-15(8-27)17(14)19-24-16(30-25-19)9-28-11-23-20-18(21(28)29)26(2)10-22-20;1-12-4-3-5-13(6-12)27-7-14-15(8-27)17(14)19-24-16(30-25-19)9-28-11-23-20-18(21(28)29)26(2)10-22-20;1-12-3-5-14(6-4-12)20(21)7-13(8-20)17-24-15(29-25-17)9-27-11-23-18-16(19(27)28)26(2)10-22-18;1-25-10-21-19-17(25)20(28)27(11-22-19)9-15-23-18(24-29-15)16-13-7-26(8-14(13)16)12-5-3-2-4-6-12;1-12-3-5-13(6-4-12)14-7-15(8-14)18-23-16(28-24-18)9-26-11-22-19-17(20(26)27)25(2)10-21-19/h3-8,12,16-17,20H,9-11H2,1-2H3;3-6,10-11,14-15,17H,7-9H2,1-2H3;2-6,11,13-14,17H,8-10H2,1H3;2*3-6,10-11,14-15,17H,7-9H2,1-2H3;3-6,10-11,13H,7-9H2,1-2H3;2-6,10-11,13-14,16H,7-9H2,1H3;3-6,10-11,14-15H,7-9H2,1-2H3/t16-,17+,20?;14-,15+,17?;13-,14+,17?;2*14-,15+,17?;;13-,14+,16?
• InChIKey: YTCUZHUQOXFSJW-JAPCGDKDSA-N
• XLogP: 16.49
• TPSA: 771.34 Ų
• H-Bond Acceptors: 70
• Rotatable Bonds: 33
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3249.49
LogP ≤ 5	16.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	70

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(1S,5R)-3-[3-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;6-methyl-7-oxo-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidine-3-carbonitrile;7-methyl-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

The IUPAC name of 1-[[3-[(1S,5R)-3-[3-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;6-methyl-7-oxo-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidine-3-carbonitrile;7-methyl-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 162008215) is 1-[[3-[(1S,5R)-3-[3-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;6-methyl-7-oxo-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidine-3-carbonitrile;7-methyl-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.

What is the SMILES notation for 1-[[3-[(1S,5R)-3-[3-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;6-methyl-7-oxo-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidine-3-carbonitrile;7-methyl-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

The canonical SMILES for 1-[[3-[(1S,5R)-3-[3-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;6-methyl-7-oxo-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidine-3-carbonitrile;7-methyl-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is Cc1ccc(C2(F)CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1ccc(C2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1ccc(N2C[C@@H]3C(c4noc(Cn5cnc6nccc(C)c6c5=O)n4)[C@@H]3C2)cc1.Cc1ccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)cc1.Cc1cccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cn1cnc2c(C#N)nn(Cc3nc(C4[C@H]5CN(c6ccccc6)C[C@@H]45)no3)c2c1=O.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6cccc(C(C)(F)F)c6)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccccc6)C[C@@H]45)no3)c(=O)c21.

What is the InChIKey of 1-[[3-[(1S,5R)-3-[3-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;6-methyl-7-oxo-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidine-3-carbonitrile;7-methyl-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

The InChIKey is YTCUZHUQOXFSJW-JAPCGDKDSA-N. The full InChI is InChI=1S/C23H22N6O2.C22H21F2N7O2.C21H18N8O2.2C21H21N7O2.C20H19FN6O2.C20H19N7O2.C20H20N6O2/c1-13-3-5-15(6-4-13)28-9-16-17(10-28)20(16)22-26-18(31-27-22)11-29-12-25-21-19(23(29)30)14(2)7-8-24-21;1-22(23,24)12-4-3-5-13(6-12)30-7-14-15(8-30)17(14)19-27-16(33-28-19)9-31-11-26-20-18(21(31)32)29(2)10-25-20;1-27-11-23-18-15(7-22)25-29(19(18)21(27)30)10-16-24-20(26-31-16)17-13-8-28(9-14(13)17)12-5-3-2-4-6-12;1-12-3-5-13(6-4-12)27-7-14-15(8-27)17(14)19-24-16(30-25-19)9-28-11-23-20-18(21(28)29)26(2)10-22-20;1-12-4-3-5-13(6-12)27-7-14-15(8-27)17(14)19-24-16(30-25-19)9-28-11-23-20-18(21(28)29)26(2)10-22-20;1-12-3-5-14(6-4-12)20(21)7-13(8-20)17-24-15(29-25-17)9-27-11-23-18-16(19(27)28)26(2)10-22-18;1-25-10-21-19-17(25)20(28)27(11-22-19)9-15-23-18(24-29-15)16-13-7-26(8-14(13)16)12-5-3-2-4-6-12;1-12-3-5-13(6-4-12)14-7-15(8-14)18-23-16(28-24-18)9-26-11-22-19-17(20(26)27)25(2)10-21-19/h3-8,12,16-17,20H,9-11H2,1-2H3;3-6,10-11,14-15,17H,7-9H2,1-2H3;2-6,11,13-14,17H,8-10H2,1H3;2*3-6,10-11,14-15,17H,7-9H2,1-2H3;3-6,10-11,13H,7-9H2,1-2H3;2-6,10-11,13-14,16H,7-9H2,1H3;3-6,10-11,14-15H,7-9H2,1-2H3/t16-,17+,20?;14-,15+,17?;13-,14+,17?;2*14-,15+,17?;;13-,14+,16?;.

What are the key properties of 1-[[3-[(1S,5R)-3-[3-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;6-methyl-7-oxo-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidine-3-carbonitrile;7-methyl-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

1-[[3-[(1S,5R)-3-[3-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;6-methyl-7-oxo-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidine-3-carbonitrile;7-methyl-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one has a molecular weight of 3249.49 g/mol, XLogP of 16.49, 33 rotatable bonds, 0 hydrogen bond donors, and 70 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[(1S,5R)-3-[3-(1,1-difluoroethyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(1S,5R)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one;7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;6-methyl-7-oxo-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[4,5-d]pyrimidine-3-carbonitrile;7-methyl-1-[[3-[(1S,5R)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is sourced from PubChem (CID 162008215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).