About 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;ethyl 2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]-2-oxoacetate;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]ethanol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;ethyl 2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]-2-oxoacetate;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]ethanol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (PubChem CID 167535522) has the molecular formula C100H104BBrF8N20O6
and a molecular weight of 1924.77 g/mol. Its IUPAC name is 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;ethyl 2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]-2-oxoacetate;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]ethanol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.
Frequently Asked Questions
What is the IUPAC name of 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;ethyl 2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]-2-oxoacetate;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]ethanol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?
The IUPAC name of 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;ethyl 2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]-2-oxoacetate;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]ethanol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole (CID 167535522) is 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;ethyl 2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]-2-oxoacetate;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]ethanol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole.
What is the SMILES notation for 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;ethyl 2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]-2-oxoacetate;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]ethanol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?
The canonical SMILES for 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;ethyl 2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]-2-oxoacetate;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]ethanol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole is CC1(C)OB(c2cc(F)cc3cc[nH]c23)OC1(C)C.CCOC(=O)C(=O)c1c[nH]c2c(-c3cc(CC)c4c(c3F)-n3c(C)nnc3C(C)(C)N4)cc(F)cc12.CCc1cc(-c2cc(F)cc3c(CCO)c[nH]c23)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.CCc1cc(-c2cc(F)cc3cc[nH]c23)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.CCc1cc(Br)c(F)c2c1NC(C)(C)c1nnc(C)n1-2.
What is the InChIKey of 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;ethyl 2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]-2-oxoacetate;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]ethanol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?
The InChIKey is AMWSUPVHSXCFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O3.C24H25F2N5O.C22H21F2N5.C14H17BFNO2.C14H16BrFN4/c1-6-13-8-15(19(28)22-20(13)30-26(4,5)25-32-31-12(3)33(22)25)16-9-14(27)10-17-18(11-29-21(16)17)23(34)24(35)36-7-2;1-5-13-8-17(18-10-15(25)9-16-14(6-7-32)11-27-21(16)18)19(26)22-20(13)28-24(3,4)23-30-29-12(2)31(22)23;1-5-12-9-15(16-10-14(23)8-13-6-7-25-18(13)16)17(24)20-19(12)26-22(3,4)21-28-27-11(2)29(20)21;1-13(2)14(3,4)19-15(18-13)11-8-10(16)7-9-5-6-17-12(9)11;1-5-8-6-9(15)10(16)12-11(8)17-14(3,4)13-19-18-7(2)20(12)13/h8-11,29-30H,6-7H2,1-5H3;8-11,27-28,32H,5-7H2,1-4H3;6-10,25-26H,5H2,1-4H3;5-8,17H,1-4H3;6,17H,5H2,1-4H3.
What are the key properties of 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;ethyl 2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]-2-oxoacetate;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]ethanol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole?
8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;ethyl 2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]-2-oxoacetate;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]ethanol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole has a molecular weight of 1924.77 g/mol, XLogP of 21.26, 13 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;ethyl 2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]-2-oxoacetate;6-ethyl-9-fluoro-8-(5-fluoro-1H-indol-7-yl)-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxaline;2-[7-(6-ethyl-9-fluoro-1,4,4-trimethyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl)-5-fluoro-1H-indol-3-yl]ethanol;5-fluoro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole is sourced from PubChem (CID 167535522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).