(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one

C141H127F6N31O13S5 — CID 161417679

IUPAC(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one
SMILESCOc1cc(/C=C2\CCCN3C2=NS(=O)(=O)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NS(=O)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCn3c2nc(=O)n3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\CCCN4C3=NS(=O)(=O)N4c3ccc(F)cc3)c3c2OCO3)cn1.Cc1cn(-c2ccc(/C=C3\CCCN4C3=NS(=O)N4c3ccc(F)cc3)c3cnsc23)cn1.Cc1cn(-c2ccc(/C=C3\CCCn4c3nc(=O)n4-c3ccc(F)cc3)c3c2CC3)cn1
InChIInChI=1S/C25H22FN5O.C24H22FN5O2.C23H19FN6OS2.C23H20FN5O4S.C23H22FN5O3S.C23H22FN5O2S/c1-16-14-29(15-27-16)23-11-4-17(21-9-10-22(21)23)13-18-3-2-12-30-24(18)28-25(32)31(30)20-7-5-19(26)6-8-20;1-16-14-28(15-26-16)21-10-5-17(13-22(21)32-2)12-18-4-3-11-29-23(18)27-24(31)30(29)20-8-6-19(25)7-9-20;1-15-13-28(14-25-15)21-9-4-16(20-12-26-32-22(20)21)11-17-3-2-10-29-23(17)27-33(31)30(29)19-7-5-18(24)6-8-19;1-15-12-27(13-25-15)20-9-4-16(21-22(20)33-14-32-21)11-17-3-2-10-28-23(17)26-34(30,31)29(28)19-7-5-18(24)6-8-19;1-16-14-27(15-25-16)21-10-5-17(13-22(21)32-2)12-18-4-3-11-28-23(18)26-33(30,31)29(28)20-8-6-19(24)7-9-20;1-16-14-27(15-25-16)21-10-5-17(13-22(21)31-2)12-18-4-3-11-28-23(18)26-32(30)29(28)20-8-6-19(24)7-9-20/h4-8,11,13-15H,2-3,9-10,12H2,1H3;5-10,12-15H,3-4,11H2,1-2H3;4-9,11-14H,2-3,10H2,1H3;4-9,11-13H,2-3,10,14H2,1H3;5-10,12-15H,3-4,11H2,1-2H3;5-10,12-15H,3-4,11H2,1-2H3/b18-13+;18-12+;2*17-11+;2*18-12+
InChIKeyVWHMZLHRDFCURB-MDOAHFEESA-N
MW2738.09 g/mol
LogP24.64
Rot. Bonds21

About (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one

(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one (PubChem CID 161417679) has the molecular formula C141H127F6N31O13S5 and a molecular weight of 2738.09 g/mol. Its IUPAC name is (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one.

Molecular Properties

Compound Name(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one
PubChem CID161417679
Molecular FormulaC141H127F6N31O13S5
Molecular Weight2738.09 g/mol
Exact Mass2735.87
IUPAC Name(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one
SMILESCOc1cc(/C=C2\CCCN3C2=NS(=O)(=O)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NS(=O)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCn3c2nc(=O)n3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\CCCN4C3=NS(=O)(=O)N4c3ccc(F)cc3)c3c2OCO3)cn1.Cc1cn(-c2ccc(/C=C3\CCCN4C3=NS(=O)N4c3ccc(F)cc3)c3cnsc23)cn1.Cc1cn(-c2ccc(/C=C3\CCCn4c3nc(=O)n4-c3ccc(F)cc3)c3c2CC3)cn1
InChIInChI=1S/C25H22FN5O.C24H22FN5O2.C23H19FN6OS2.C23H20FN5O4S.C23H22FN5O3S.C23H22FN5O2S/c1-16-14-29(15-27-16)23-11-4-17(21-9-10-22(21)23)13-18-3-2-12-30-24(18)28-25(32)31(30)20-7-5-19(26)6-8-20;1-16-14-28(15-26-16)21-10-5-17(13-22(21)32-2)12-18-4-3-11-29-23(18)27-24(31)30(29)20-8-6-19(25)7-9-20;1-15-13-28(14-25-15)21-9-4-16(20-12-26-32-22(20)21)11-17-3-2-10-29-23(17)27-33(31)30(29)19-7-5-18(24)6-8-19;1-15-12-27(13-25-15)20-9-4-16(21-22(20)33-14-32-21)11-17-3-2-10-28-23(17)26-34(30,31)29(28)19-7-5-18(24)6-8-19;1-16-14-27(15-25-16)21-10-5-17(13-22(21)32-2)12-18-4-3-11-28-23(18)26-33(30,31)29(28)20-8-6-19(24)7-9-20;1-16-14-27(15-25-16)21-10-5-17(13-22(21)31-2)12-18-4-3-11-28-23(18)26-32(30)29(28)20-8-6-19(24)7-9-20/h4-8,11,13-15H,2-3,9-10,12H2,1H3;5-10,12-15H,3-4,11H2,1-2H3;4-9,11-14H,2-3,10H2,1H3;4-9,11-13H,2-3,10,14H2,1H3;5-10,12-15H,3-4,11H2,1-2H3;5-10,12-15H,3-4,11H2,1-2H3/b18-13+;18-12+;2*17-11+;2*18-12+
InChIKeyVWHMZLHRDFCURB-MDOAHFEESA-N
XLogP24.64
TPSA423.38 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds21
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002738.09
LogP ≤ 524.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one with MolForge

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Related Compounds

(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;(9E)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]methylidene]-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine;4-[(E)-[4-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazin-9-ylidene]methyl]-7-(4-methylimidazol-1-yl)-1,2-benzothiazole;4-[(E)-[4-(4-fluorophenyl)-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazin-9-ylidene]methyl]-7-(4-methylimidazol-1-yl)-1,2-benzoxazole;(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)-3,6,7,8-tetrahydro-2H-pyrido[1,2-b][1,2,4]triazine
CID 157448501
(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-1,2-benzoxazol-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-4-(4-fluorophenyl)-9-[[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]methylidene]-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine;(9Z)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)-2,3,6,7-tetrahydro-[1,4]oxazino[4,3-b][1,2,4]triazine
CID 157829378
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(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-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one
CID 158208095
(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,2-dimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2-phenyl-5,6-dihydro-2H-[1,2,4]triazolo[5,1-c][1,4]oxazine;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane];(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]spiro[5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazine-2,4'-oxane]
CID 158340652
(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one
CID 158576335
(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8Z)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-5,6-dihydro-[1,2,3,5]thiatriazolo[4,3-c][1,4]oxazine 2-oxide;(8Z)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]oxazin-2-one
CID 160339690
CID 161848647
CID 161848647

Frequently Asked Questions

What is the IUPAC name of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one?
The IUPAC name of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one (CID 161417679) is (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one.
What is the SMILES notation for (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one?
The canonical SMILES for (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one is COc1cc(/C=C2\CCCN3C2=NS(=O)(=O)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCN3C2=NS(=O)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCn3c2nc(=O)n3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(/C=C3\CCCN4C3=NS(=O)(=O)N4c3ccc(F)cc3)c3c2OCO3)cn1.Cc1cn(-c2ccc(/C=C3\CCCN4C3=NS(=O)N4c3ccc(F)cc3)c3cnsc23)cn1.Cc1cn(-c2ccc(/C=C3\CCCn4c3nc(=O)n4-c3ccc(F)cc3)c3c2CC3)cn1.
What is the InChIKey of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one?
The InChIKey is VWHMZLHRDFCURB-MDOAHFEESA-N. The full InChI is InChI=1S/C25H22FN5O.C24H22FN5O2.C23H19FN6OS2.C23H20FN5O4S.C23H22FN5O3S.C23H22FN5O2S/c1-16-14-29(15-27-16)23-11-4-17(21-9-10-22(21)23)13-18-3-2-12-30-24(18)28-25(32)31(30)20-7-5-19(26)6-8-20;1-16-14-28(15-26-16)21-10-5-17(13-22(21)32-2)12-18-4-3-11-29-23(18)27-24(31)30(29)20-8-6-19(25)7-9-20;1-15-13-28(14-25-15)21-9-4-16(20-12-26-32-22(20)21)11-17-3-2-10-29-23(17)27-33(31)30(29)19-7-5-18(24)6-8-19;1-15-12-27(13-25-15)20-9-4-16(21-22(20)33-14-32-21)11-17-3-2-10-28-23(17)26-34(30,31)29(28)19-7-5-18(24)6-8-19;1-16-14-27(15-25-16)21-10-5-17(13-22(21)32-2)12-18-4-3-11-28-23(18)26-33(30,31)29(28)20-8-6-19(24)7-9-20;1-16-14-27(15-25-16)21-10-5-17(13-22(21)31-2)12-18-4-3-11-28-23(18)26-32(30)29(28)20-8-6-19(24)7-9-20/h4-8,11,13-15H,2-3,9-10,12H2,1H3;5-10,12-15H,3-4,11H2,1-2H3;4-9,11-14H,2-3,10H2,1H3;4-9,11-13H,2-3,10,14H2,1H3;5-10,12-15H,3-4,11H2,1-2H3;5-10,12-15H,3-4,11H2,1-2H3/b18-13+;18-12+;2*17-11+;2*18-12+.
What are the key properties of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one?
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one has a molecular weight of 2738.09 g/mol, XLogP of 24.64, 21 rotatable bonds, 0 hydrogen bond donors, and 37 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]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2,2-dioxide;(8E)-3-(4-fluorophenyl)-8-[[7-(4-methylimidazol-1-yl)-1,2-benzothiazol-4-yl]methylidene]-6,7-dihydro-5H-[1,2,3,5]thiatriazolo[3,4-a]pyridine 2-oxide;(8E)-3-(4-fluorophenyl)-8-[[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridin-2-one is sourced from PubChem (CID 161417679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).