About 2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone;8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1-methylsulfonylpiperidin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone
2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone;8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1-methylsulfonylpiperidin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone (PubChem CID 158625778) has the molecular formula C122H146F5N27O12S2
and a molecular weight of 2341.81 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone;8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1-methylsulfonylpiperidin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone.
Frequently Asked Questions
What is the IUPAC name of 2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone;8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1-methylsulfonylpiperidin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone;8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1-methylsulfonylpiperidin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone (CID 158625778) is 2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone;8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1-methylsulfonylpiperidin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone;8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1-methylsulfonylpiperidin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone;8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1-methylsulfonylpiperidin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone is CC(=O)N1C(C)CC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC1C.CC1C=C(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC(C)N1C(=O)CN(C)C.CC1C=C(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC(C)N1S(C)(=O)=O.CC1CC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC(C)N1C(=O)CN(C)C.CC1CC(c2cnc(CCc3c(F)ccc4c3CCO4)n3cnnc23)CC(C)N1S(C)(=O)=O.
What is the InChIKey of 2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone;8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1-methylsulfonylpiperidin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone?
The InChIKey is HYOQOFNMGOGGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O2.C26H31FN6O2.C24H28FN5O2.C23H28FN5O3S.C23H26FN5O3S/c2*1-16-11-18(12-17(2)33(16)25(34)14-31(3)4)21-13-28-24(32-15-29-30-26(21)32)8-5-19-20-9-10-35-23(20)7-6-22(19)27;1-14-10-17(11-15(2)30(14)16(3)31)20-12-26-23(29-13-27-28-24(20)29)7-4-18-19-8-9-32-22(19)6-5-21(18)25;2*1-14-10-16(11-15(2)29(14)33(3,30)31)19-12-25-22(28-13-26-27-23(19)28)7-4-17-18-8-9-32-21(18)6-5-20(17)24/h6-7,13,15-18H,5,8-12,14H2,1-4H3;6-7,11,13,15-17H,5,8-10,12,14H2,1-4H3;5-6,12-15,17H,4,7-11H2,1-3H3;5-6,12-16H,4,7-11H2,1-3H3;5-6,10,12-15H,4,7-9,11H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone;8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1-methylsulfonylpiperidin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone?
2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone;8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1-methylsulfonylpiperidin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone has a molecular weight of 2341.81 g/mol, XLogP of 15.16, 26 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethyl-3,6-dihydro-2H-pyridin-1-yl]ethanone;2-(dimethylamino)-1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone;8-(2,6-dimethyl-1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;8-(2,6-dimethyl-1-methylsulfonylpiperidin-4-yl)-5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidine;1-[4-[5-[2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)ethyl]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-2,6-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 158625778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).