About 1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;1-methyl-6-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one
1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;1-methyl-6-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one (PubChem CID 157378252) has the molecular formula C128H110N42O12
and a molecular weight of 2428.57 g/mol. Its IUPAC name is 1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;1-methyl-6-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one.
Frequently Asked Questions
What is the IUPAC name of 1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;1-methyl-6-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;1-methyl-6-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one (CID 157378252) is 1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;1-methyl-6-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;1-methyl-6-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;1-methyl-6-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one is Cc1ccc(C2=C[C@@H]3[C@H](C2)[C@H]3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)nc1.Cc1ccc(C2=C[C@H]3[C@@H](C2)[C@@H]3c2noc(Cn3cnc4ncn(C)c4c3=O)n2)nc1.Cn1cnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccc7c(c6)N=CC7)C[C@H]54)no3)c(=O)c21.Cn1cnc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6ccc7c(c6)N=CC7)C[C@@H]54)no3)c(=O)c21.Cn1nnc2ncn(Cc3nc([C@@H]4[C@H]5C=C(c6ccccc6)C[C@H]54)no3)c(=O)c21.Cn1nnc2ncn(Cc3nc([C@H]4[C@@H]5C=C(c6ccccc6)C[C@@H]54)no3)c(=O)c21.
What is the InChIKey of 1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;1-methyl-6-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one?
The InChIKey is BKOLKEPQJXSFFA-UOSDOXARSA-N. The full InChI is InChI=1S/2C23H19N7O2.2C21H19N7O2.2C20H17N7O2/c2*1-29-10-25-22-20(29)23(31)30(11-26-22)9-18-27-21(28-32-18)19-15-6-14(7-16(15)19)13-3-2-12-4-5-24-17(12)8-13;2*1-11-3-4-15(22-7-11)12-5-13-14(6-12)17(13)19-25-16(30-26-19)8-28-10-24-20-18(21(28)29)27(2)9-23-20;2*1-26-17-19(23-25-26)21-10-27(20(17)28)9-15-22-18(24-29-15)16-13-7-12(8-14(13)16)11-5-3-2-4-6-11/h2*2-3,5-6,8,10-11,15-16,19H,4,7,9H2,1H3;2*3-5,7,9-10,13-14,17H,6,8H2,1-2H3;2*2-7,10,13-14,16H,8-9H2,1H3/t2*15-,16+,19+;2*13-,14+,17+;2*13-,14+,16+/m101010/s1.
What are the key properties of 1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;1-methyl-6-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one?
1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;1-methyl-6-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one has a molecular weight of 2428.57 g/mol, XLogP of 12.98, 24 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(1R,5R,6S)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;1-[[3-[(1S,5S,6R)-3-(3H-indol-6-yl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;7-methyl-1-[[3-[(1R,5R,6S)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-methyl-1-[[3-[(1S,5S,6R)-3-(5-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;1-methyl-6-[[3-[(1S,5S,6R)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one;1-methyl-6-[[3-[(1R,5R,6S)-3-phenyl-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]triazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 157378252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).