About (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane];(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane]
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane];(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane] (PubChem CID 158690835) has the molecular formula C132H138F5N25O6
and a molecular weight of 2265.71 g/mol. Its IUPAC name is (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane];(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane].
Frequently Asked Questions
What is the IUPAC name of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane];(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane]?
The IUPAC name of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane];(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane] (CID 158690835) is (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane];(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane].
What is the SMILES notation for (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane];(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane]?
The canonical SMILES for (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane];(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane] is COc1cc(/C=C2\CCCN3C2=NC(C)(C)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NC(C)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NC2(CCOCC2)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NCN3c2ccc(F)cc2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\CCCN4C3=NC3(CCOCC3)N4c3ccc(F)cc3)c3c2CC3)cn1.
What is the InChIKey of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane];(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane]?
The InChIKey is IGIDGQGCLDWRNR-GOJVNILXSA-N. The full InChI is InChI=1S/C29H30FN5O.C28H30FN5O2.C26H28FN5O.C25H26FN5O.C24H24FN5O/c1-20-18-33(19-31-20)27-11-4-21(25-9-10-26(25)27)17-22-3-2-14-34-28(22)32-29(12-15-36-16-13-29)35(34)24-7-5-23(30)6-8-24;1-20-18-32(19-30-20)25-10-5-21(17-26(25)35-2)16-22-4-3-13-33-27(22)31-28(11-14-36-15-12-28)34(33)24-8-6-23(29)7-9-24;1-18-16-30(17-28-18)23-12-7-19(15-24(23)33-4)14-20-6-5-13-31-25(20)29-26(2,3)32(31)22-10-8-21(27)9-11-22;1-17-15-29(16-27-17)23-11-6-19(14-24(23)32-3)13-20-5-4-12-30-25(20)28-18(2)31(30)22-9-7-21(26)8-10-22;1-17-14-28(15-26-17)22-10-5-18(13-23(22)31-2)12-19-4-3-11-29-24(19)27-16-30(29)21-8-6-20(25)7-9-21/h4-8,11,17-19H,2-3,9-10,12-16H2,1H3;5-10,16-19H,3-4,11-15H2,1-2H3;7-12,14-17H,5-6,13H2,1-4H3;6-11,13-16,18H,4-5,12H2,1-3H3;5-10,12-15H,3-4,11,16H2,1-2H3/b22-17+;22-16+;20-14+;20-13+;19-12+.
What are the key properties of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane];(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane]?
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane];(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane] has a molecular weight of 2265.71 g/mol, XLogP of 25.35, 19 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane];(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine-2,4'-oxane] is sourced from PubChem (CID 158690835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).