About (8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-8-[4-chloro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium
(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-8-[4-chloro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium (PubChem CID 158242269) has the molecular formula C121H120Br2ClF12N28O6+5
and a molecular weight of 2485.72 g/mol. Its IUPAC name is (8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-8-[4-chloro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium.
Frequently Asked Questions
What is the IUPAC name of (8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-8-[4-chloro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium?
The IUPAC name of (8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-8-[4-chloro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium (CID 158242269) is (8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-8-[4-chloro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium.
What is the SMILES notation for (8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-8-[4-chloro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium?
The canonical SMILES for (8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-8-[4-chloro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium is COc1cc(C)c([C@@H]2CCC[n+]3[nH]c(-c4ccc(-n5cnc(C)c5)c(OC)n4)nc32)cc1C(C)C.COc1nc(-c2cn3c(n2)[C@H](c2ccc(Br)cc2C(F)(F)F)CCC3)ccc1-[n+]1c[nH]c(C)c1.COc1nc(-c2cn3c(n2)[C@H](c2ccc(Cl)cc2C(F)(F)F)CCC3)ccc1-[n+]1c[nH]c(C)c1.COc1nc(-c2nc3[n+]([nH]2)CCC[C@H]3c2ccc(Br)cc2C(F)(F)F)ccc1-n1cnc(C)c1.COc1nc(-c2nc3[n+]([nH]2)CCC[C@H]3c2ccccc2C(F)(F)F)ccc1-n1cnc(C)c1.
What is the InChIKey of (8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-8-[4-chloro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium?
The InChIKey is INRGKYNWFXJGRV-LRNRKSJLSA-S. The full InChI is InChI=1S/C27H32N6O2.C24H21BrF3N5O.C24H21ClF3N5O.C23H20BrF3N6O.C23H21F3N6O/c1-16(2)20-13-21(17(3)12-24(20)34-5)19-8-7-11-33-26(19)30-25(31-33)22-9-10-23(27(29-22)35-6)32-14-18(4)28-15-32;2*1-14-11-33(13-29-14)21-8-7-19(31-23(21)34-2)20-12-32-9-3-4-17(22(32)30-20)16-6-5-15(25)10-18(16)24(26,27)28;1-13-11-32(12-28-13)19-8-7-18(29-22(19)34-2)20-30-21-16(4-3-9-33(21)31-20)15-6-5-14(24)10-17(15)23(25,26)27;1-14-12-31(13-27-14)19-10-9-18(28-22(19)33-2)20-29-21-16(7-5-11-32(21)30-20)15-6-3-4-8-17(15)23(24,25)26/h9-10,12-16,19H,7-8,11H2,1-6H3;2*5-8,10-13,17H,3-4,9H2,1-2H3;5-8,10-12,16H,3-4,9H2,1-2H3;3-4,6,8-10,12-13,16H,5,7,11H2,1-2H3/p+5/t19-;2*17-;2*16-/m00000/s1.
What are the key properties of (8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-8-[4-chloro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium?
(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-8-[4-chloro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium has a molecular weight of 2485.72 g/mol, XLogP of 24.84, 22 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-8-[4-chloro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium is sourced from PubChem (CID 158242269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).