About 1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(3R,5R)-5-(3,4-difluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-c]pyridin-4-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(3R,5R)-5-(3,4-difluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-c]pyridin-4-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 161160794) has the molecular formula C145H140F4N40O21
and a molecular weight of 2854.97 g/mol. Its IUPAC name is 1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(3R,5R)-5-(3,4-difluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-c]pyridin-4-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.
Frequently Asked Questions
What is the IUPAC name of 1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(3R,5R)-5-(3,4-difluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-c]pyridin-4-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The IUPAC name of 1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(3R,5R)-5-(3,4-difluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-c]pyridin-4-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 161160794) is 1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(3R,5R)-5-(3,4-difluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-c]pyridin-4-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.
What is the SMILES notation for 1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(3R,5R)-5-(3,4-difluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-c]pyridin-4-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The canonical SMILES for 1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(3R,5R)-5-(3,4-difluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-c]pyridin-4-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is Cc1cc([C@H]2C[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)cc(F)c1F.Cc1ccc([C@@]2(C)C[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4ccc5ncn(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5cncc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5ncn(C)c5c4=O)n3)CO2)cc1.Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(C(C)(F)F)cc5)C4)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@@H]4CO[C@@]5(Cc6ccccc65)C4)no3)c(=O)c21.
What is the InChIKey of 1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(3R,5R)-5-(3,4-difluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-c]pyridin-4-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The InChIKey is UPWVECKPZZAMMF-DHKHRJOLSA-N. The full InChI is InChI=1S/C22H21N5O3.C21H20F2N6O3.C21H22N6O3.C21H21N5O3.C20H18F2N6O3.C20H18N6O3.C20H20N6O3/c1-13-3-5-15(6-4-13)18-7-16(11-29-18)21-25-19(30-26-21)10-27-12-24-17-9-23-8-14(2)20(17)22(27)28;1-21(22,23)14-5-3-12(4-6-14)15-7-13(9-31-15)18-26-16(32-27-18)8-29-11-25-19-17(20(29)30)28(2)10-24-19;1-13-4-6-15(7-5-13)21(2)8-14(10-29-21)18-24-16(30-25-18)9-27-12-23-19-17(20(27)28)26(3)11-22-19;1-13-3-5-14(6-4-13)17-9-15(11-28-17)20-23-18(29-24-20)10-26-8-7-16-19(21(26)27)25(2)12-22-16;1-10-3-11(4-13(21)16(10)22)14-5-12(7-30-14)18-25-15(31-26-18)6-28-9-24-19-17(20(28)29)27(2)8-23-19;1-25-10-21-18-16(25)19(27)26(11-22-18)8-15-23-17(24-29-15)13-7-20(28-9-13)6-12-4-2-3-5-14(12)20;1-12-3-5-13(6-4-12)15-7-14(9-28-15)18-23-16(29-24-18)8-26-11-22-19-17(20(26)27)25(2)10-21-19/h3-6,8-9,12,16,18H,7,10-11H2,1-2H3;3-6,10-11,13,15H,7-9H2,1-2H3;4-7,11-12,14H,8-10H2,1-3H3;3-8,12,15,17H,9-11H2,1-2H3;3-4,8-9,12,14H,5-7H2,1-2H3;2-5,10-11,13H,6-9H2,1H3;3-6,10-11,14-15H,7-9H2,1-2H3/t16-,18+;13-,15+;14-,21+;15-,17+;12-,14+;13-,20-;14-,15+/m0000000/s1.
What are the key properties of 1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(3R,5R)-5-(3,4-difluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-c]pyridin-4-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(3R,5R)-5-(3,4-difluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-c]pyridin-4-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one has a molecular weight of 2854.97 g/mol, XLogP of 17.04, 28 rotatable bonds, 0 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(3R,5R)-5-(3,4-difluoro-5-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(3R,5R)-5-methyl-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;3-methyl-5-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[4,5-c]pyridin-4-one;7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[3,4-d]pyrimidin-4-one;7-methyl-1-[[3-[(3'R,7R)-spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,5'-oxolane]-3'-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is sourced from PubChem (CID 161160794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).