1-[[3-[3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(ethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(4-ethynyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;8-(2-hydroxyethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-(4-hydroxy-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-8-(oxan-4-ylamino)-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.1]heptan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

C199H187F6N59O21 — CID 158682453

About 1-[[3-[3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(ethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(4-ethynyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;8-(2-hydroxyethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-(4-hydroxy-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-8-(oxan-4-ylamino)-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.1]heptan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one

1-[[3-[3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(ethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(4-ethynyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;8-(2-hydroxyethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-(4-hydroxy-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-8-(oxan-4-ylamino)-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.1]heptan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 158682453) has the molecular formula C199H187F6N59O21 and a molecular weight of 3855.06 g/mol. Its IUPAC name is 1-[[3-[3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(ethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(4-ethynyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;8-(2-hydroxyethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-(4-hydroxy-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-8-(oxan-4-ylamino)-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.1]heptan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.

Molecular Properties

• Compound Name: 1-[[3-[3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(ethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(4-ethynyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;8-(2-hydroxyethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-(4-hydroxy-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-8-(oxan-4-ylamino)-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.1]heptan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
• PubChem CID: 158682453
• Molecular Formula: C199H187F6N59O21
• Molecular Weight: 3855.06 g/mol
• Exact Mass: 3852.53
• IUPAC Name: 1-[[3-[3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(ethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(4-ethynyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;8-(2-hydroxyethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-(4-hydroxy-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-8-(oxan-4-ylamino)-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.1]heptan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
• SMILES: C#Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c(F)c1.CCNc1nc2ncn(Cc3nc(C4C5C=C(c6ccccc6)CC54)no3)c(=O)c2n1C.Cc1c(F)cc(C2=CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1F.Cc1cccc(C(F)(F)C2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)c1.Cc1cccc(C2(F)CC(c3noc(Cn4cnn5ncc(C)c5c4=O)n3)C2)c1.Cn1c(NC2CCOCC2)nc2ncn(Cc3nc(C4C5C=C(c6ccccc6)CC54)no3)c(=O)c21.Cn1c(NCCO)nc2ncn(Cc3nc(C4C5C=C(c6ccccc6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5C=C(c6ccccc6)C(O)C54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CC4CN(c4ccccc4)C5)no3)c(=O)c21
• InChI: InChI=1S/C26H27N7O3.C23H23N7O3.C23H23N7O2.C22H18F2N6O2.C22H18FN7O2.C21H20F2N6O2.C21H21N7O2.C21H18N6O3.C20H19FN6O2/c1-32-22-24(30-26(32)28-17-7-9-35-10-8-17)27-14-33(25(22)34)13-20-29-23(31-36-20)21-18-11-16(12-19(18)21)15-5-3-2-4-6-15;1-29-19-21(27-23(29)24-7-8-31)25-12-30(22(19)32)11-17-26-20(28-33-17)18-15-9-14(10-16(15)18)13-5-3-2-4-6-13;1-3-24-23-27-21-19(29(23)2)22(31)30(12-25-21)11-17-26-20(28-32-17)18-15-9-14(10-16(15)18)13-7-5-4-6-8-13;1-10-15(23)5-12(6-16(10)24)11-3-13-14(4-11)18(13)20-27-17(32-28-20)7-30-9-26-21-19(22(30)31)29(2)8-25-21;1-3-12-4-5-16(15(23)6-12)29-7-13-14(8-29)18(13)20-26-17(32-27-20)9-30-11-25-21-19(22(30)31)28(2)10-24-21;1-12-4-3-5-14(6-12)21(22,23)15-7-13(8-15)18-26-16(31-27-18)9-29-11-25-19-17(20(29)30)28(2)10-24-19;1-26-11-22-20-18(26)21(29)28(12-23-20)10-16-24-19(25-30-16)17-13-7-14(17)9-27(8-13)15-5-3-2-4-6-15;1-26-9-22-20-17(26)21(29)27(10-23-20)8-14-24-19(25-30-14)16-13-7-12(18(28)15(13)16)11-5-3-2-4-6-11;1-12-4-3-5-15(6-12)20(21)7-14(8-20)18-24-16(29-25-18)10-26-11-23-27-17(19(26)28)13(2)9-22-27/h2-6,11,14,17-19,21H,7-10,12-13H2,1H3,(H,28,30);2-6,9,12,15-16,18,31H,7-8,10-11H2,1H3,(H,24,27);4-9,12,15-16,18H,3,10-11H2,1-2H3,(H,24,27);3,5-6,8-9,13-14,18H,4,7H2,1-2H3;1,4-6,10-11,13-14,18H,7-9H2,2H3;3-6,10-11,13,15H,7-9H2,1-2H3;2-6,11-14,17H,7-10H2,1H3;2-7,9-10,13,15-16,18,28H,8H2,1H3;3-6,9,11,14H,7-8,10H2,1-2H3
• InChIKey: IFHPJFMDIIVKBX-UHFFFAOYSA-N
• XLogP: 21.04
• TPSA: 916.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 80
• Rotatable Bonds: 44
• Heavy Atoms: 285
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3855.06
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	80

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(ethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(4-ethynyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;8-(2-hydroxyethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-(4-hydroxy-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-8-(oxan-4-ylamino)-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.1]heptan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

The IUPAC name of 1-[[3-[3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(ethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(4-ethynyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;8-(2-hydroxyethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-(4-hydroxy-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-8-(oxan-4-ylamino)-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.1]heptan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 158682453) is 1-[[3-[3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(ethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(4-ethynyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;8-(2-hydroxyethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-(4-hydroxy-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-8-(oxan-4-ylamino)-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.1]heptan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.

What is the SMILES notation for 1-[[3-[3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(ethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(4-ethynyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;8-(2-hydroxyethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-(4-hydroxy-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-8-(oxan-4-ylamino)-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.1]heptan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

The canonical SMILES for 1-[[3-[3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(ethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(4-ethynyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;8-(2-hydroxyethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-(4-hydroxy-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-8-(oxan-4-ylamino)-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.1]heptan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is C#Cc1ccc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c(F)c1.CCNc1nc2ncn(Cc3nc(C4C5C=C(c6ccccc6)CC54)no3)c(=O)c2n1C.Cc1c(F)cc(C2=CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1F.Cc1cccc(C(F)(F)C2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)c1.Cc1cccc(C2(F)CC(c3noc(Cn4cnn5ncc(C)c5c4=O)n3)C2)c1.Cn1c(NC2CCOCC2)nc2ncn(Cc3nc(C4C5C=C(c6ccccc6)CC54)no3)c(=O)c21.Cn1c(NCCO)nc2ncn(Cc3nc(C4C5C=C(c6ccccc6)CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5C=C(c6ccccc6)C(O)C54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5CC4CN(c4ccccc4)C5)no3)c(=O)c21.

What is the InChIKey of 1-[[3-[3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(ethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(4-ethynyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;8-(2-hydroxyethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-(4-hydroxy-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-8-(oxan-4-ylamino)-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.1]heptan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

The InChIKey is IFHPJFMDIIVKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3.C23H23N7O3.C23H23N7O2.C22H18F2N6O2.C22H18FN7O2.C21H20F2N6O2.C21H21N7O2.C21H18N6O3.C20H19FN6O2/c1-32-22-24(30-26(32)28-17-7-9-35-10-8-17)27-14-33(25(22)34)13-20-29-23(31-36-20)21-18-11-16(12-19(18)21)15-5-3-2-4-6-15;1-29-19-21(27-23(29)24-7-8-31)25-12-30(22(19)32)11-17-26-20(28-33-17)18-15-9-14(10-16(15)18)13-5-3-2-4-6-13;1-3-24-23-27-21-19(29(23)2)22(31)30(12-25-21)11-17-26-20(28-32-17)18-15-9-14(10-16(15)18)13-7-5-4-6-8-13;1-10-15(23)5-12(6-16(10)24)11-3-13-14(4-11)18(13)20-27-17(32-28-20)7-30-9-26-21-19(22(30)31)29(2)8-25-21;1-3-12-4-5-16(15(23)6-12)29-7-13-14(8-29)18(13)20-26-17(32-27-20)9-30-11-25-21-19(22(30)31)28(2)10-24-21;1-12-4-3-5-14(6-12)21(22,23)15-7-13(8-15)18-26-16(31-27-18)9-29-11-25-19-17(20(29)30)28(2)10-24-19;1-26-11-22-20-18(26)21(29)28(12-23-20)10-16-24-19(25-30-16)17-13-7-14(17)9-27(8-13)15-5-3-2-4-6-15;1-26-9-22-20-17(26)21(29)27(10-23-20)8-14-24-19(25-30-14)16-13-7-12(18(28)15(13)16)11-5-3-2-4-6-11;1-12-4-3-5-15(6-12)20(21)7-14(8-20)18-24-16(29-25-18)10-26-11-23-27-17(19(26)28)13(2)9-22-27/h2-6,11,14,17-19,21H,7-10,12-13H2,1H3,(H,28,30);2-6,9,12,15-16,18,31H,7-8,10-11H2,1H3,(H,24,27);4-9,12,15-16,18H,3,10-11H2,1-2H3,(H,24,27);3,5-6,8-9,13-14,18H,4,7H2,1-2H3;1,4-6,10-11,13-14,18H,7-9H2,2H3;3-6,10-11,13,15H,7-9H2,1-2H3;2-6,11-14,17H,7-10H2,1H3;2-7,9-10,13,15-16,18,28H,8H2,1H3;3-6,9,11,14H,7-8,10H2,1-2H3.

What are the key properties of 1-[[3-[3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(ethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(4-ethynyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;8-(2-hydroxyethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-(4-hydroxy-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-8-(oxan-4-ylamino)-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.1]heptan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?

1-[[3-[3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(ethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(4-ethynyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;8-(2-hydroxyethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-(4-hydroxy-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-8-(oxan-4-ylamino)-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.1]heptan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one has a molecular weight of 3855.06 g/mol, XLogP of 21.04, 44 rotatable bonds, 5 hydrogen bond donors, and 80 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-[3-(3,5-difluoro-4-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-[difluoro-(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;8-(ethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[3-(4-ethynyl-2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrazolo[5,1-f][1,2,4]triazin-4-one;8-(2-hydroxyethylamino)-7-methyl-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-(4-hydroxy-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-8-(oxan-4-ylamino)-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenyl-3-azabicyclo[3.1.1]heptan-6-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is sourced from PubChem (CID 158682453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).