About 2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-(azetidin-3-ylamino)-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide
2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-(azetidin-3-ylamino)-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 160723642) has the molecular formula C132H141F6N41O19S
and a molecular weight of 2751.90 g/mol. Its IUPAC name is 2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-(azetidin-3-ylamino)-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-(azetidin-3-ylamino)-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of 2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-(azetidin-3-ylamino)-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 160723642) is 2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-(azetidin-3-ylamino)-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-(azetidin-3-ylamino)-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for 2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-(azetidin-3-ylamino)-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide is Cc1ccc([C@H]2C[C@H](c3noc(CN4C=NC5N=C(C(F)F)N(C)C5C4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnc5nc(C(N)=O)ccc5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnn5c(NC6CCN(C)CC6)nc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnn5c(NC6CNC6)nc(C)c5c4=O)n3)CO2)cc1.Cc1ccc([C@H]2C[C@H](c3noc(Cn4cnn5cnc(C)c5c4=O)n3)CO2)cc1.Cn1cnc2nc(N)n(Cc3nc([C@@H]4CO[C@@H](c5ccc(S(C)(F)(F)(F)F)cc5)C4)no3)c(=O)c21.
What is the InChIKey of 2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-(azetidin-3-ylamino)-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is RTKQBIMDMDKDHQ-GQYFFWHZSA-N. The full InChI is InChI=1S/C26H32N8O3.C23H26N8O3.C22H20N6O4.C21H22F2N6O3.C20H21F4N7O3S.C20H20N6O3/c1-16-4-6-18(7-5-16)21-12-19(14-36-21)24-30-22(37-31-24)13-33-15-27-34-23(25(33)35)17(2)28-26(34)29-20-8-10-32(3)11-9-20;1-13-3-5-15(6-4-13)18-7-16(11-33-18)21-28-19(34-29-21)10-30-12-25-31-20(22(30)32)14(2)26-23(31)27-17-8-24-9-17;1-12-2-4-13(5-3-12)17-8-14(10-31-17)20-26-18(32-27-20)9-28-11-24-21-15(22(28)30)6-7-16(25-21)19(23)29;1-11-3-5-12(6-4-11)14-7-13(9-31-14)18-25-15(32-27-18)8-29-10-24-19-16(21(29)30)28(2)20(26-19)17(22)23;1-30-10-26-18-16(30)19(32)31(20(25)28-18)8-15-27-17(29-34-15)12-7-14(33-9-12)11-3-5-13(6-4-11)35(2,21,22,23)24;1-12-3-5-14(6-4-12)16-7-15(9-28-16)19-23-17(29-24-19)8-25-11-22-26-10-21-13(2)18(26)20(25)27/h4-7,15,19-21H,8-14H2,1-3H3,(H,28,29);3-6,12,16-18,24H,7-11H2,1-2H3,(H,26,27);2-7,11,14,17H,8-10H2,1H3,(H2,23,29);3-6,10,13-14,16-17,19H,7-9H2,1-2H3;3-6,10,12,14H,7-9H2,1-2H3,(H2,25,28);3-6,10-11,15-16H,7-9H2,1-2H3/t19-,21+;16-,18+;14-,17+;13-,14+,16?,19?;12-,14+;15-,16+/m000000/s1.
What are the key properties of 2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-(azetidin-3-ylamino)-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide?
2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-(azetidin-3-ylamino)-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 2751.90 g/mol, XLogP of 14.41, 31 rotatable bonds, 5 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-1-[[3-[(3R,5R)-5-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]purin-6-one;7-(azetidin-3-ylamino)-5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;8-(difluoromethyl)-7-methyl-1-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4,5-dihydropurin-6-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]imidazo[5,1-f][1,2,4]triazin-4-one;5-methyl-3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-7-[(1-methylpiperidin-4-yl)amino]imidazo[5,1-f][1,2,4]triazin-4-one;3-[[3-[(3R,5R)-5-(4-methylphenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]-4-oxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 160723642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).