About 3-[[3-[(1S,1aR,6bS)-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-[(1R,5S)-3-[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[(1R,5R,6S)-3-(4-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one
3-[[3-[(1S,1aR,6bS)-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-[(1R,5S)-3-[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[(1R,5R,6S)-3-(4-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 159349629) has the molecular formula C133H115ClF2N38O13
and a molecular weight of 2527.08 g/mol. Its IUPAC name is 3-[[3-[(1S,1aR,6bS)-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-[(1R,5S)-3-[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[(1R,5R,6S)-3-(4-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
Frequently Asked Questions
What is the IUPAC name of 3-[[3-[(1S,1aR,6bS)-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-[(1R,5S)-3-[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[(1R,5R,6S)-3-(4-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[[3-[(1S,1aR,6bS)-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-[(1R,5S)-3-[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[(1R,5R,6S)-3-(4-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 159349629) is 3-[[3-[(1S,1aR,6bS)-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-[(1R,5S)-3-[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[(1R,5R,6S)-3-(4-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[3-[(1S,1aR,6bS)-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-[(1R,5S)-3-[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[(1R,5R,6S)-3-(4-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[[3-[(1S,1aR,6bS)-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-[(1R,5S)-3-[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[(1R,5R,6S)-3-(4-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is Cc1ccc(C2(F)CC(c3noc(Cn4cnc5nc(C#N)cc(C)c5c4=O)n3)C2)cc1.Cc1ccc(C2(F)CC(c3noc(Cn4cnc5nccc(C)c5c4=O)n3)C2)cc1.Cc1cccc2c1O[C@H]1[C@H](c3noc(Cn4cnc5nccc(C)c5c4=O)n3)[C@@H]21.Cc1ccnc(C2=C[C@H]3[C@@H](C2)[C@@H]3c2noc(Cn3cnc4ncccc4c3=O)n2)c1.Cc1ccnc(N2C[C@@H]3C(c4noc(Cn5ncc6ncccc6c5=O)n4)[C@@H]3C2)c1.Cn1cc(-c2cc(Cl)cc(N3C[C@@H]4C(c5noc(Cn6cnc7ncn(C)c7c6=O)n5)[C@@H]4C3)c2)cn1.
What is the InChIKey of 3-[[3-[(1S,1aR,6bS)-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-[(1R,5S)-3-[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[(1R,5R,6S)-3-(4-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is LHDYAGBZWRJUFT-WQGFXIHPSA-N. The full InChI is InChI=1S/C24H22ClN9O2.C23H19FN6O2.C22H20FN5O2.C22H18N6O2.C21H19N7O2.C21H17N5O3/c1-31-11-26-23-21(31)24(35)34(12-27-23)10-19-29-22(30-36-19)20-17-8-33(9-18(17)20)16-4-13(3-15(25)5-16)14-6-28-32(2)7-14;1-13-3-5-16(6-4-13)23(24)8-15(9-23)20-28-18(32-29-20)11-30-12-26-21-19(22(30)31)14(2)7-17(10-25)27-21;1-13-3-5-16(6-4-13)22(23)9-15(10-22)19-26-17(30-27-19)11-28-12-25-20-18(21(28)29)14(2)7-8-24-20;1-12-4-6-23-17(7-12)13-8-15-16(9-13)19(15)21-26-18(30-27-21)10-28-11-25-20-14(22(28)29)3-2-5-24-20;1-12-4-6-23-17(7-12)27-9-14-15(10-27)19(14)20-25-18(30-26-20)11-28-21(29)13-3-2-5-22-16(13)8-24-28;1-10-6-7-22-19-14(10)21(27)26(9-23-19)8-13-24-20(25-29-13)16-15-12-5-3-4-11(2)17(12)28-18(15)16/h3-7,11-12,17-18,20H,8-10H2,1-2H3;3-7,12,15H,8-9,11H2,1-2H3;3-8,12,15H,9-11H2,1-2H3;2-8,11,15-16,19H,9-10H2,1H3;2-8,14-15,19H,9-11H2,1H3;3-7,9,15-16,18H,8H2,1-2H3/t17-,18+,20?;;;15-,16+,19+;14-,15+,19?;15-,16-,18-/m...0.1/s1.
What are the key properties of 3-[[3-[(1S,1aR,6bS)-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-[(1R,5S)-3-[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[(1R,5R,6S)-3-(4-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one?
3-[[3-[(1S,1aR,6bS)-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-[(1R,5S)-3-[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[(1R,5R,6S)-3-(4-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 2527.08 g/mol, XLogP of 16.50, 24 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(1S,1aR,6bS)-3-methyl-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;1-[[3-[(1R,5S)-3-[3-chloro-5-(1-methylpyrazol-4-yl)phenyl]-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-methylpurin-6-one;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidine-7-carbonitrile;3-[[3-[3-fluoro-3-(4-methylphenyl)cyclobutyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrido[2,3-d]pyrimidin-4-one;6-[[3-[(1S,5R)-3-(4-methyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyridazin-5-one;3-[[3-[(1R,5R,6S)-3-(4-methyl-2-pyridinyl)-6-bicyclo[3.1.0]hex-2-enyl]-1,2,4-oxadiazol-5-yl]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 159349629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).