(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

C119H111F5N26O8S4 — CID 158208095

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]-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
SMILESCOc1cc(/C=C2\CCCN3C2=NC(C)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.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.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.C25H26FN5O.C23H19FN6OS2.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;1-17-15-29(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;1-15-13-28(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;1-16-14-27(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;6-11,13-16,18H,4-5,12H2,1-3H3;4-9,11-14H,2-3,10H2,1H3;5-10,12-15H,3-4,11H2,1-2H3;5-10,12-15H,3-4,11H2,1-2H3/b18-13+;20-13+;17-11+;2*18-12+
InChIKeyGBSVLDCPAODZDN-COZGYMSJSA-N
MW2256.63 g/mol
LogP22.01
Rot. Bonds18

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]-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

(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 (PubChem CID 158208095) has the molecular formula C119H111F5N26O8S4 and a molecular weight of 2256.63 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]-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.

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]-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
PubChem CID158208095
Molecular FormulaC119H111F5N26O8S4
Molecular Weight2256.63 g/mol
Exact Mass2254.79
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]-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
SMILESCOc1cc(/C=C2\CCCN3C2=NC(C)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.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.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.C25H26FN5O.C23H19FN6OS2.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;1-17-15-29(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;1-15-13-28(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;1-16-14-27(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;6-11,13-16,18H,4-5,12H2,1-3H3;4-9,11-14H,2-3,10H2,1H3;5-10,12-15H,3-4,11H2,1-2H3;5-10,12-15H,3-4,11H2,1-2H3/b18-13+;20-13+;17-11+;2*18-12+
InChIKeyGBSVLDCPAODZDN-COZGYMSJSA-N
XLogP22.01
TPSA313.14 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds18
Heavy Atoms162
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002256.63
LogP ≤ 522.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

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]-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 with MolForge

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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]-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?
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]-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) 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]-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.
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]-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?
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]-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 is COc1cc(/C=C2\CCCN3C2=NC(C)N3c2ccc(F)cc2)ccc1-n1cnc(C)c1.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.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]-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?
The InChIKey is GBSVLDCPAODZDN-COZGYMSJSA-N. The full InChI is InChI=1S/C25H22FN5O.C25H26FN5O.C23H19FN6OS2.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;1-17-15-29(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;1-15-13-28(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;1-16-14-27(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;6-11,13-16,18H,4-5,12H2,1-3H3;4-9,11-14H,2-3,10H2,1H3;5-10,12-15H,3-4,11H2,1-2H3;5-10,12-15H,3-4,11H2,1-2H3/b18-13+;20-13+;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]-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?
(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 has a molecular weight of 2256.63 g/mol, XLogP of 22.01, 18 rotatable bonds, 0 hydrogen bond donors, and 29 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]-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 is sourced from PubChem (CID 158208095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).