About 1-[[3-[3-fluoro-3-(2-fluoro-5-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one);7-methyl-1-[[3-[(1R,2S,5S,6R)-2-methyl-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
1-[[3-[3-fluoro-3-(2-fluoro-5-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one);7-methyl-1-[[3-[(1R,2S,5S,6R)-2-methyl-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 161439796) has the molecular formula C124H116F5N37O12
and a molecular weight of 2411.53 g/mol. Its IUPAC name is 1-[[3-[3-fluoro-3-(2-fluoro-5-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one);7-methyl-1-[[3-[(1R,2S,5S,6R)-2-methyl-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.
Frequently Asked Questions
What is the IUPAC name of 1-[[3-[3-fluoro-3-(2-fluoro-5-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one);7-methyl-1-[[3-[(1R,2S,5S,6R)-2-methyl-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The IUPAC name of 1-[[3-[3-fluoro-3-(2-fluoro-5-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one);7-methyl-1-[[3-[(1R,2S,5S,6R)-2-methyl-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 161439796) is 1-[[3-[3-fluoro-3-(2-fluoro-5-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one);7-methyl-1-[[3-[(1R,2S,5S,6R)-2-methyl-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.
What is the SMILES notation for 1-[[3-[3-fluoro-3-(2-fluoro-5-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one);7-methyl-1-[[3-[(1R,2S,5S,6R)-2-methyl-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The canonical SMILES for 1-[[3-[3-fluoro-3-(2-fluoro-5-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one);7-methyl-1-[[3-[(1R,2S,5S,6R)-2-methyl-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is Cc1ccc(C2(F)CC(c3noc(Cn4cnc5ncccc5c4=O)n3)C2)cc1.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5ncccc5c4=O)n3)C2)cc1.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1ccc(F)c(C2(F)CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)c1.Cc1ccc(N2C[C@@H]3C(c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3C2)nc1.Cc1cccc(N2C[C@@H]3[C@@H](c4noc(Cn5cnc6ncn(C)c6c5=O)n4)[C@@H]3[C@@H]2C)c1.
What is the InChIKey of 1-[[3-[3-fluoro-3-(2-fluoro-5-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one);7-methyl-1-[[3-[(1R,2S,5S,6R)-2-methyl-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The InChIKey is VZCUNTRBCQOQCL-DAMMQXQJSA-N. The full InChI is InChI=1S/C22H23N7O2.2C21H18FN5O2.C20H18F2N6O2.C20H19FN6O2.C20H20N8O2/c1-12-5-4-6-14(7-12)29-8-15-17(13(29)2)18(15)20-25-16(31-26-20)9-28-11-24-21-19(22(28)30)27(3)10-23-21;2*1-13-4-6-15(7-5-13)21(22)9-14(10-21)18-25-17(29-26-18)11-27-12-24-19-16(20(27)28)3-2-8-23-19;1-11-3-4-14(21)13(5-11)20(22)6-12(7-20)17-25-15(30-26-17)8-28-10-24-18-16(19(28)29)27(2)9-23-18;1-12-3-5-14(6-4-12)20(21)7-13(8-20)17-24-15(29-25-17)9-27-11-23-18-16(19(27)28)26(2)10-22-18;1-11-3-4-14(21-5-11)27-6-12-13(7-27)16(12)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19/h4-7,10-11,13,15,17-18H,8-9H2,1-3H3;2*2-8,12,14H,9-11H2,1H3;3-5,9-10,12H,6-8H2,1-2H3;3-6,10-11,13H,7-9H2,1-2H3;3-5,9-10,12-13,16H,6-8H2,1-2H3/t13-,15-,17+,18+;;;;;12-,13+,16?/m0...../s1.
What are the key properties of 1-[[3-[3-fluoro-3-(2-fluoro-5-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one);7-methyl-1-[[3-[(1R,2S,5S,6R)-2-methyl-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
1-[[3-[3-fluoro-3-(2-fluoro-5-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one);7-methyl-1-[[3-[(1R,2S,5S,6R)-2-methyl-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one has a molecular weight of 2411.53 g/mol, XLogP of 15.13, 24 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[3-fluoro-3-(2-fluoro-5-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;bis(3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one);7-methyl-1-[[3-[(1R,2S,5S,6R)-2-methyl-3-(3-methylphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5R)-3-(5-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is sourced from PubChem (CID 161439796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).