About 8-amino-7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1S,5S,6R)-3-(4-ethynylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(2-fluoro-3-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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-[(1S,5S,6R)-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-[(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
8-amino-7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1S,5S,6R)-3-(4-ethynylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(2-fluoro-3-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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-[(1S,5S,6R)-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-[(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 158291930) has the molecular formula C130H120F2N38O13
and a molecular weight of 2460.64 g/mol. Its IUPAC name is 8-amino-7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1S,5S,6R)-3-(4-ethynylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(2-fluoro-3-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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-[(1S,5S,6R)-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-[(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.
Frequently Asked Questions
What is the IUPAC name of 8-amino-7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1S,5S,6R)-3-(4-ethynylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(2-fluoro-3-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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-[(1S,5S,6R)-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-[(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The IUPAC name of 8-amino-7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1S,5S,6R)-3-(4-ethynylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(2-fluoro-3-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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-[(1S,5S,6R)-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-[(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 158291930) is 8-amino-7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1S,5S,6R)-3-(4-ethynylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(2-fluoro-3-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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-[(1S,5S,6R)-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-[(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.
What is the SMILES notation for 8-amino-7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1S,5S,6R)-3-(4-ethynylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(2-fluoro-3-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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-[(1S,5S,6R)-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-[(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The canonical SMILES for 8-amino-7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1S,5S,6R)-3-(4-ethynylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(2-fluoro-3-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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-[(1S,5S,6R)-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-[(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is C#Cc1ccc(C2=C[C@@H]3[C@H](C2)[C@H]3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)cc1.Cc1cccc(C2(F)CC(c3noc(Cn4cnn5ncc(C)c5c4=O)n3)C2)c1.Cc1cccc(C2=C[C@H]3[C@@H](C2)[C@@H]3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1F.Cc1cccc(CC2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)c1.Cn1c(N)nc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6ccccc6)C[C@@H]54)no3)c(=O)c21.Cn1c(NCCO)nc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6ccccc6)C[C@@H]54)no3)c(=O)c21.
What is the InChIKey of 8-amino-7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1S,5S,6R)-3-(4-ethynylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(2-fluoro-3-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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-[(1S,5S,6R)-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-[(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The InChIKey is GLLPCWLQLXWHGY-YAXHTLILSA-N. The full InChI is InChI=1S/C23H23N7O3.C23H18N6O2.C22H19FN6O2.C21H19N7O2.C21H22N6O2.C20H19FN6O2/c1-29-19-21(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;1-3-13-4-6-14(7-5-13)15-8-16-17(9-15)19(16)21-26-18(31-27-21)10-29-12-25-22-20(23(29)30)28(2)11-24-22;1-11-4-3-5-13(18(11)23)12-6-14-15(7-12)17(14)20-26-16(31-27-20)8-29-10-25-21-19(22(29)30)28(2)9-24-21;1-27-17-19(25-21(27)22)23-10-28(20(17)29)9-15-24-18(26-30-15)16-13-7-12(8-14(13)16)11-5-3-2-4-6-11;1-13-4-3-5-14(6-13)7-15-8-16(9-15)19-24-17(29-25-19)10-27-12-23-20-18(21(27)28)26(2)11-22-20;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/h2-6,9,12,15-16,18,31H,7-8,10-11H2,1H3,(H,24,27);1,4-8,11-12,16-17,19H,9-10H2,2H3;3-6,9-10,14-15,17H,7-8H2,1-2H3;2-7,10,13-14,16H,8-9H2,1H3,(H2,22,25);3-6,11-12,15-16H,7-10H2,1-2H3;3-6,9,11,14H,7-8,10H2,1-2H3/t15-,16+,18+;16-,17+,19+;14-,15+,17+;13-,14+,16+;;/m1101../s1.
What are the key properties of 8-amino-7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1S,5S,6R)-3-(4-ethynylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(2-fluoro-3-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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-[(1S,5S,6R)-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-[(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
8-amino-7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1S,5S,6R)-3-(4-ethynylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(2-fluoro-3-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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-[(1S,5S,6R)-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-[(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one has a molecular weight of 2460.64 g/mol, XLogP of 14.22, 28 rotatable bonds, 3 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-methyl-1-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-[[3-[(1S,5S,6R)-3-(4-ethynylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1R,5R,6S)-3-(2-fluoro-3-methylphenyl)-6-bicyclo[3.1.0]hex-2-enyl]-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-[(1S,5S,6R)-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-[(3-methylphenyl)methyl]cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is sourced from PubChem (CID 158291930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).