About 1-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;bis(7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one);7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one
1-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;bis(7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one);7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (PubChem CID 158955833) has the molecular formula C159H152N50O16
and a molecular weight of 3019.30 g/mol. Its IUPAC name is 1-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;bis(7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one);7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.
Frequently Asked Questions
What is the IUPAC name of 1-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;bis(7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one);7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The IUPAC name of 1-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;bis(7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one);7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one (CID 158955833) is 1-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;bis(7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one);7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one.
What is the SMILES notation for 1-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;bis(7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one);7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The canonical SMILES for 1-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;bis(7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one);7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is Cc1ccc(C2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1ccc(C2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)cc1.Cc1ccc2c(c1)CC1C(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C21.Cc1cccc(C2CC(c3noc(Cn4cnc5ncn(C)c5c4=O)n3)C2)c1.Cc1cncc(N2CC3C(C2)C3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)c1.Cn1cnc2ncn(Cc3nc(C4C5Cc6ccccc6C54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4C5Cc6ccccc6CC54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc(C4CCC(c5ccccc5)C4)no3)c(=O)c21.
What is the InChIKey of 1-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;bis(7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one);7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
The InChIKey is JLZMZEFRJJGDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2.2C20H18N6O2.4C20H20N6O2.C19H16N6O2/c1-11-3-12(5-21-4-11)27-6-13-14(7-27)16(13)18-24-15(30-25-18)8-28-10-23-19-17(20(28)29)26(2)9-22-19;1-10-3-4-12-11(5-10)6-13-15(12)16(13)18-23-14(28-24-18)7-26-9-22-19-17(20(26)27)25(2)8-21-19;1-25-9-21-19-17(25)20(27)26(10-22-19)8-15-23-18(24-28-15)16-13-6-11-4-2-3-5-12(11)7-14(13)16;2*1-12-3-5-13(6-4-12)14-7-15(8-14)18-23-16(28-24-18)9-26-11-22-19-17(20(26)27)25(2)10-21-19;1-12-4-3-5-13(6-12)14-7-15(8-14)18-23-16(28-24-18)9-26-11-22-19-17(20(26)27)25(2)10-21-19;1-25-11-21-19-17(25)20(27)26(12-22-19)10-16-23-18(24-28-16)15-8-7-14(9-15)13-5-3-2-4-6-13;1-24-8-20-18-16(24)19(26)25(9-21-18)7-13-22-17(23-27-13)15-12-6-10-4-2-3-5-11(10)14(12)15/h3-5,9-10,13-14,16H,6-8H2,1-2H3;3-5,8-9,13,15-16H,6-7H2,1-2H3;2-5,9-10,13-14,16H,6-8H2,1H3;3*3-6,10-11,14-15H,7-9H2,1-2H3;2-6,11-12,14-15H,7-10H2,1H3;2-5,8-9,12,14-15H,6-7H2,1H3.
What are the key properties of 1-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;bis(7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one);7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one?
1-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;bis(7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one);7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one has a molecular weight of 3019.30 g/mol, XLogP of 16.55, 29 rotatable bonds, 0 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-(1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalen-1-yl)-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-(4-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[3-(3-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;bis(7-methyl-1-[[3-[3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one);7-methyl-1-[[3-[3-(5-methyl-3-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-(3-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]purin-6-one is sourced from PubChem (CID 158955833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).