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;N,N-dimethyl-2-[[7-methyl-6-oxo-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-8-yl]amino]acetamide;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;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-8-(oxetan-3-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

C205H194F5N61O22 — CID 159737082

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;N,N-dimethyl-2-[[7-methyl-6-oxo-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-8-yl]amino]acetamide;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;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-8-(oxetan-3-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;N,N-dimethyl-2-[[7-methyl-6-oxo-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-8-yl]amino]acetamide;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;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-8-(oxetan-3-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 159737082) has the molecular formula C205H194F5N61O22 and a molecular weight of 3959.20 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;N,N-dimethyl-2-[[7-methyl-6-oxo-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-8-yl]amino]acetamide;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;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-8-(oxetan-3-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;N,N-dimethyl-2-[[7-methyl-6-oxo-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-8-yl]amino]acetamide;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;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-8-(oxetan-3-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: 159737082
• Molecular Formula: C205H194F5N61O22
• Molecular Weight: 3959.20 g/mol
• Exact Mass: 3956.59
• 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;N,N-dimethyl-2-[[7-methyl-6-oxo-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-8-yl]amino]acetamide;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;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-8-(oxetan-3-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.CN(C)C(=O)CNc1nc2ncn(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.Cn1c(NC2CCOCC2)nc2ncn(Cc3nc(C4C5C=C(c6ccccc6)CC54)no3)c(=O)c21.Cn1c(NC2COC2)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.C25H26N8O3.C24H23N7O3.C23H23N7O2.C22H18F2N6O2.C22H18FN7O2.C21H20F2N6O2.C21H21N7O2.C21H18N6O3/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;1-31(2)19(34)11-26-25-29-23-21(32(25)3)24(35)33(13-27-23)12-18-28-22(30-36-18)20-16-9-15(10-17(16)20)14-7-5-4-6-8-14;1-30-20-22(28-24(30)26-15-10-33-11-15)25-12-31(23(20)32)9-18-27-21(29-34-18)19-16-7-14(8-17(16)19)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/h2-6,11,14,17-19,21H,7-10,12-13H2,1H3,(H,28,30);4-9,13,16-17,20H,10-12H2,1-3H3,(H,26,29);2-7,12,15-17,19H,8-11H2,1H3,(H,26,28);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
• InChIKey: NBYYPWJCCGXOQO-UHFFFAOYSA-N
• XLogP: 20.65
• TPSA: 938.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 82
• Rotatable Bonds: 46
• Heavy Atoms: 293
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3959.20
LogP ≤ 5	20.65
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	82

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;N,N-dimethyl-2-[[7-methyl-6-oxo-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-8-yl]amino]acetamide;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;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-8-(oxetan-3-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;N,N-dimethyl-2-[[7-methyl-6-oxo-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-8-yl]amino]acetamide;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;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-8-(oxetan-3-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 159737082) 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;N,N-dimethyl-2-[[7-methyl-6-oxo-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-8-yl]amino]acetamide;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;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-8-(oxetan-3-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;N,N-dimethyl-2-[[7-methyl-6-oxo-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-8-yl]amino]acetamide;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;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-8-(oxetan-3-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;N,N-dimethyl-2-[[7-methyl-6-oxo-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-8-yl]amino]acetamide;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;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-8-(oxetan-3-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.CN(C)C(=O)CNc1nc2ncn(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.Cn1c(NC2CCOCC2)nc2ncn(Cc3nc(C4C5C=C(c6ccccc6)CC54)no3)c(=O)c21.Cn1c(NC2COC2)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;N,N-dimethyl-2-[[7-methyl-6-oxo-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-8-yl]amino]acetamide;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;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-8-(oxetan-3-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 NBYYPWJCCGXOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3.C25H26N8O3.C24H23N7O3.C23H23N7O2.C22H18F2N6O2.C22H18FN7O2.C21H20F2N6O2.C21H21N7O2.C21H18N6O3/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;1-31(2)19(34)11-26-25-29-23-21(32(25)3)24(35)33(13-27-23)12-18-28-22(30-36-18)20-16-9-15(10-17(16)20)14-7-5-4-6-8-14;1-30-20-22(28-24(30)26-15-10-33-11-15)25-12-31(23(20)32)9-18-27-21(29-34-18)19-16-7-14(8-17(16)19)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/h2-6,11,14,17-19,21H,7-10,12-13H2,1H3,(H,28,30);4-9,13,16-17,20H,10-12H2,1-3H3,(H,26,29);2-7,12,15-17,19H,8-11H2,1H3,(H,26,28);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.

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;N,N-dimethyl-2-[[7-methyl-6-oxo-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-8-yl]amino]acetamide;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;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-8-(oxetan-3-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;N,N-dimethyl-2-[[7-methyl-6-oxo-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-8-yl]amino]acetamide;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;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-8-(oxetan-3-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 3959.20 g/mol, XLogP of 20.65, 46 rotatable bonds, 5 hydrogen bond donors, and 82 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;N,N-dimethyl-2-[[7-methyl-6-oxo-1-[[3-(3-phenyl-6-bicyclo[3.1.0]hex-2-enyl)-1,2,4-oxadiazol-5-yl]methyl]purin-8-yl]amino]acetamide;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;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-8-(oxetan-3-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 159737082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).