About 2-amino-1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2,8-dideuterio-7-methyl-1-[[3-[(3R,5R)-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]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one
2-amino-1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2,8-dideuterio-7-methyl-1-[[3-[(3R,5R)-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]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 158516652) has the molecular formula C123H123F2N39O18
and a molecular weight of 2475.60 g/mol. Its IUPAC name is 2-amino-1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2,8-dideuterio-7-methyl-1-[[3-[(3R,5R)-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]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one.
Frequently Asked Questions
What is the IUPAC name of 2-amino-1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2,8-dideuterio-7-methyl-1-[[3-[(3R,5R)-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]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-amino-1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2,8-dideuterio-7-methyl-1-[[3-[(3R,5R)-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]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one (CID 158516652) is 2-amino-1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2,8-dideuterio-7-methyl-1-[[3-[(3R,5R)-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]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2,8-dideuterio-7-methyl-1-[[3-[(3R,5R)-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]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2,8-dideuterio-7-methyl-1-[[3-[(3R,5R)-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]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one is CC1=NCc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(C)cc5)C4)no3)c(=O)c21.Cc1ccc([C@H]2C[C@H](c3noc(Cn4nc(C#N)c5ncn(C)c5c4=O)n3)CO2)cc1.Cc1cccc([C@H]2C[C@H](c3noc(Cn4c(N)nc5ncn(C)c5c4=O)n3)CO2)c1.Cc1cccc([C@H]2C[C@H](c3noc(Cn4c(N)nn5ncc(C)c5c4=O)n3)CO2)c1.Cn1cnc2nc(N)n(Cc3nc([C@@H]4CO[C@@H](c5ccc(C(C)(F)F)cc5)C4)no3)c(=O)c21.[2H]c1nc2nc([2H])n(C)c2c(=O)n1Cc1nc([C@@H]2CO[C@@H](c3ccc(C)cc3)C2)no1.
What is the InChIKey of 2-amino-1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2,8-dideuterio-7-methyl-1-[[3-[(3R,5R)-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]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is HLSBBBPOSSIRRW-YJAUYROVSA-N. The full InChI is InChI=1S/C21H21F2N7O3.C21H19N7O3.C21H21N5O3.2C20H21N7O3.C20H20N6O3/c1-21(22,23)13-5-3-11(4-6-13)14-7-12(9-32-14)17-26-15(33-28-17)8-30-19(31)16-18(27-20(30)24)25-10-29(16)2;1-12-3-5-13(6-4-12)16-7-14(10-30-16)20-24-17(31-26-20)9-28-21(29)19-18(15(8-22)25-28)23-11-27(19)2;1-12-3-5-14(6-4-12)17-7-15(10-28-17)20-24-18(29-25-20)9-26-11-23-16-8-22-13(2)19(16)21(26)27;1-11-4-3-5-12(6-11)14-7-13(9-29-14)17-23-15(30-25-17)8-27-19(28)16-18(24-20(27)21)22-10-26(16)2;1-11-4-3-5-13(6-11)15-7-14(10-29-15)18-23-16(30-25-18)9-26-19(28)17-12(2)8-22-27(17)24-20(26)21;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/h3-6,10,12,14H,7-9H2,1-2H3,(H2,24,27);3-6,11,14,16H,7,9-10H2,1-2H3;3-6,11,15,17H,7-10H2,1-2H3;3-6,10,13-14H,7-9H2,1-2H3,(H2,21,24);3-6,8,14-15H,7,9-10H2,1-2H3,(H2,21,24);3-6,10-11,14-15H,7-9H2,1-2H3/t12-,14+;14-,16+;15-,17+;13-,14+;2*14-,15+/m000000/s1/i;;;;;10D,11D.
What are the key properties of 2-amino-1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2,8-dideuterio-7-methyl-1-[[3-[(3R,5R)-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]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one?
2-amino-1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2,8-dideuterio-7-methyl-1-[[3-[(3R,5R)-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]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 2475.60 g/mol, XLogP of 12.62, 25 rotatable bonds, 3 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[[3-[(3R,5R)-5-[4-(1,1-difluoroethyl)phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;2-amino-7-methyl-1-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;2-amino-5-methyl-3-[[3-[(3R,5R)-5-(3-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,1-f][1,2,4]triazin-4-one;2,8-dideuterio-7-methyl-1-[[3-[(3R,5R)-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]-4-oxoimidazo[4,5-d]pyridazine-7-carbonitrile;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 158516652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).