1-[[3-[(1R,5S)-3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-[(1S,5R)-6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile;5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one

C168H154F4N54O17 — CID 161438641

About 1-[[3-[(1R,5S)-3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-[(1S,5R)-6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile;5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one

1-[[3-[(1R,5S)-3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-[(1S,5R)-6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile;5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one (PubChem CID 161438641) has the molecular formula C168H154F4N54O17 and a molecular weight of 3277.43 g/mol. Its IUPAC name is 1-[[3-[(1R,5S)-3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-[(1S,5R)-6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile;5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

• Compound Name: 1-[[3-[(1R,5S)-3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-[(1S,5R)-6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile;5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one
• PubChem CID: 161438641
• Molecular Formula: C168H154F4N54O17
• Molecular Weight: 3277.43 g/mol
• Exact Mass: 3275.28
• IUPAC Name: 1-[[3-[(1R,5S)-3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-[(1S,5R)-6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile;5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one
• SMILES: Cc1ccc(C2=C[C@H]3[C@@H](C2)[C@@H]3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1F.Cc1ccc(F)c(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cc1cccc(C(=O)C2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)c1.Cc1cccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1F.Cc1cccc(N2C[C@@H]3C(c4noc(Cn5ncc6ncccc6c5=O)n4)[C@@H]3C2)c1.Cc1cnn2ncn(Cc3nc(C4[C@H]5CN(c6ccccc6)C[C@@H]45)no3)c(=O)c12.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccccc6C#N)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccccc6F)C[C@@H]45)no3)c(=O)c21
• InChI: InChI=1S/C22H19FN6O2.C22H20N6O2.2C21H20FN7O2.C21H18N8O2.C21H20N6O3.C20H18FN7O2.C20H19N7O2/c1-11-3-4-12(7-16(11)23)13-5-14-15(6-13)18(14)20-26-17(31-27-20)8-29-10-25-21-19(22(29)30)28(2)9-24-21;1-13-4-2-5-14(8-13)27-10-16-17(11-27)20(16)21-25-19(30-26-21)12-28-22(29)15-6-3-7-23-18(15)9-24-28;1-11-3-4-14(22)15(5-11)28-6-12-13(7-28)17(12)19-25-16(31-26-19)8-29-10-24-20-18(21(29)30)27(2)9-23-20;1-11-4-3-5-14(17(11)22)28-6-12-13(7-28)16(12)19-25-15(31-26-19)8-29-10-24-20-18(21(29)30)27(2)9-23-20;1-27-10-23-20-18(27)21(30)29(11-24-20)9-16-25-19(26-31-16)17-13-7-28(8-14(13)17)15-5-3-2-4-12(15)6-22;1-12-4-3-5-13(6-12)18(28)14-7-15(8-14)19-24-16(30-25-19)9-27-11-23-20-17(21(27)29)26(2)10-22-20;1-26-9-22-19-17(26)20(29)28(10-23-19)8-15-24-18(25-30-15)16-11-6-27(7-12(11)16)14-5-3-2-4-13(14)21;1-12-7-21-27-18(12)20(28)26(11-22-27)10-16-23-19(24-29-16)17-14-8-25(9-15(14)17)13-5-3-2-4-6-13/h3-5,7,9-10,14-15,18H,6,8H2,1-2H3;2-9,16-17,20H,10-12H2,1H3;3-5,9-10,12-13,17H,6-8H2,1-2H3;3-5,9-10,12-13,16H,6-8H2,1-2H3;2-5,10-11,13-14,17H,7-9H2,1H3;3-6,10-11,14-15H,7-9H2,1-2H3;2-5,9-12,16H,6-8H2,1H3;2-7,11,14-15,17H,8-10H2,1H3/t14-,15+,18+;16-,17+,20?;12-,13+,17?;12-,13+,16?;13-,14+,17?;;11-,12+,16?;14-,15+,17?/m0......./s1
• InChIKey: VYYZWLJBOQBSBB-QGZSEWNMSA-N
• XLogP: 15.48
• TPSA: 787.89 Ų
• H-Bond Acceptors: 71
• Rotatable Bonds: 33
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3277.43
LogP ≤ 5	15.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	71

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(1R,5S)-3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-[(1S,5R)-6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile;5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one?

The IUPAC name of 1-[[3-[(1R,5S)-3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-[(1S,5R)-6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile;5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one (CID 161438641) is 1-[[3-[(1R,5S)-3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-[(1S,5R)-6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile;5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one.

What is the SMILES notation for 1-[[3-[(1R,5S)-3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-[(1S,5R)-6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile;5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one?

The canonical SMILES for 1-[[3-[(1R,5S)-3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-[(1S,5R)-6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile;5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one is Cc1ccc(C2=C[C@H]3[C@@H](C2)[C@@H]3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1F.Cc1ccc(F)c(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1.Cc1cccc(C(=O)C2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)c1.Cc1cccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)c1F.Cc1cccc(N2C[C@@H]3C(c4noc(Cn5ncc6ncccc6c5=O)n4)[C@@H]3C2)c1.Cc1cnn2ncn(Cc3nc(C4[C@H]5CN(c6ccccc6)C[C@@H]45)no3)c(=O)c12.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccccc6C#N)C[C@@H]45)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4[C@H]5CN(c6ccccc6F)C[C@@H]45)no3)c(=O)c21.

What is the InChIKey of 1-[[3-[(1R,5S)-3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-[(1S,5R)-6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile;5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one?

The InChIKey is VYYZWLJBOQBSBB-QGZSEWNMSA-N. The full InChI is InChI=1S/C22H19FN6O2.C22H20N6O2.2C21H20FN7O2.C21H18N8O2.C21H20N6O3.C20H18FN7O2.C20H19N7O2/c1-11-3-4-12(7-16(11)23)13-5-14-15(6-13)18(14)20-26-17(31-27-20)8-29-10-25-21-19(22(29)30)28(2)9-24-21;1-13-4-2-5-14(8-13)27-10-16-17(11-27)20(16)21-25-19(30-26-21)12-28-22(29)15-6-3-7-23-18(15)9-24-28;1-11-3-4-14(22)15(5-11)28-6-12-13(7-28)17(12)19-25-16(31-26-19)8-29-10-24-20-18(21(29)30)27(2)9-23-20;1-11-4-3-5-14(17(11)22)28-6-12-13(7-28)16(12)19-25-15(31-26-19)8-29-10-24-20-18(21(29)30)27(2)9-23-20;1-27-10-23-20-18(27)21(30)29(11-24-20)9-16-25-19(26-31-16)17-13-7-28(8-14(13)17)15-5-3-2-4-12(15)6-22;1-12-4-3-5-13(6-12)18(28)14-7-15(8-14)19-24-16(30-25-19)9-27-11-23-20-17(21(27)29)26(2)10-22-20;1-26-9-22-19-17(26)20(29)28(10-23-19)8-15-24-18(25-30-15)16-11-6-27(7-12(11)16)14-5-3-2-4-13(14)21;1-12-7-21-27-18(12)20(28)26(11-22-27)10-16-23-19(24-29-16)17-14-8-25(9-15(14)17)13-5-3-2-4-6-13/h3-5,7,9-10,14-15,18H,6,8H2,1-2H3;2-9,16-17,20H,10-12H2,1H3;3-5,9-10,12-13,17H,6-8H2,1-2H3;3-5,9-10,12-13,16H,6-8H2,1-2H3;2-5,10-11,13-14,17H,7-9H2,1H3;3-6,10-11,14-15H,7-9H2,1-2H3;2-5,9-12,16H,6-8H2,1H3;2-7,11,14-15,17H,8-10H2,1H3/t14-,15+,18+;16-,17+,20?;12-,13+,17?;12-,13+,16?;13-,14+,17?;;11-,12+,16?;14-,15+,17?/m0......./s1.

What are the key properties of 1-[[3-[(1R,5S)-3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-[(1S,5R)-6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile;5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one?

1-[[3-[(1R,5S)-3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-[(1S,5R)-6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile;5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one has a molecular weight of 3277.43 g/mol, XLogP of 15.48, 33 rotatable bonds, 0 hydrogen bond donors, and 71 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[(1R,5S)-3-(2-fluoro-3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluoro-5-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(3-fluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5S)-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[3-(3-methylbenzoyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-[(1S,5R)-6-[5-[(7-methyl-6-oxopurin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]benzonitrile;5-methyl-3-[[3-[(1R,5S)-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;6-[[3-[(1R,5S)-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 161438641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).