[4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate

C114H88F8N8O19S8 — CID 158926146

IUPAC[4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate
SMILESCC(=O)c1cccn2c(-c3ccc(F)cc3)c(-c3ccc(OS(C)=O)cc3)nc12.COc1ccc2c(c1F)CSc1c(C(F)(F)F)nn(-c3ccc(OS(N)=O)cc3)c1-2.CS(=O)Oc1ccc(-c2oc3ccccc3c2-c2ccccc2)cc1.CS(=O)Oc1ccc(-c2sc3ncnn3c2-c2ccccc2)cc1.CS(=O)Oc1ccc(C2=C(c3ccc(F)c(F)c3)C(=O)OC2)cc1.CS(=O)Oc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2(C)C)cc1
InChIInChI=1S/C22H17FN2O3S.C21H16O3S.C19H17FO4S.C18H13F4N3O3S2.C17H12F2O4S.C17H13N3O2S2/c1-14(26)19-4-3-13-25-21(16-5-9-17(23)10-6-16)20(24-22(19)25)15-7-11-18(12-8-15)28-29(2)27;1-25(22)24-17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)18-9-5-6-10-19(18)23-21;1-19(2)17(12-7-9-15(10-8-12)24-25(3)22)16(18(21)23-19)13-5-4-6-14(20)11-13;1-27-13-7-6-11-12(14(13)19)8-29-16-15(11)25(24-17(16)18(20,21)22)9-2-4-10(5-3-9)28-30(23)26;1-24(21)23-12-5-2-10(3-6-12)13-9-22-17(20)16(13)11-4-7-14(18)15(19)8-11;1-24(21)22-14-9-7-13(8-10-14)16-15(12-5-3-2-4-6-12)20-17(23-16)18-11-19-20/h3-13H,1-2H3;2-14H,1H3;4-11H,1-3H3;2-7H,8,23H2,1H3;2-8H,9H2,1H3;2-11H,1H3
InChIKeyJILRWLCJDOUCRK-UHFFFAOYSA-N
MW2282.51 g/mol
LogP25.00
Rot. Bonds25

About [4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate

[4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate (PubChem CID 158926146) has the molecular formula C114H88F8N8O19S8 and a molecular weight of 2282.51 g/mol. Its IUPAC name is [4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate.

Molecular Properties

Compound Name[4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate
PubChem CID158926146
Molecular FormulaC114H88F8N8O19S8
Molecular Weight2282.51 g/mol
Exact Mass2280.38
IUPAC Name[4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate
SMILESCC(=O)c1cccn2c(-c3ccc(F)cc3)c(-c3ccc(OS(C)=O)cc3)nc12.COc1ccc2c(c1F)CSc1c(C(F)(F)F)nn(-c3ccc(OS(N)=O)cc3)c1-2.CS(=O)Oc1ccc(-c2oc3ccccc3c2-c2ccccc2)cc1.CS(=O)Oc1ccc(-c2sc3ncnn3c2-c2ccccc2)cc1.CS(=O)Oc1ccc(C2=C(c3ccc(F)c(F)c3)C(=O)OC2)cc1.CS(=O)Oc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2(C)C)cc1
InChIInChI=1S/C22H17FN2O3S.C21H16O3S.C19H17FO4S.C18H13F4N3O3S2.C17H12F2O4S.C17H13N3O2S2/c1-14(26)19-4-3-13-25-21(16-5-9-17(23)10-6-16)20(24-22(19)25)15-7-11-18(12-8-15)28-29(2)27;1-25(22)24-17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)18-9-5-6-10-19(18)23-21;1-19(2)17(12-7-9-15(10-8-12)24-25(3)22)16(18(21)23-19)13-5-4-6-14(20)11-13;1-27-13-7-6-11-12(14(13)19)8-29-16-15(11)25(24-17(16)18(20,21)22)9-2-4-10(5-3-9)28-30(23)26;1-24(21)23-12-5-2-10(3-6-12)13-9-22-17(20)16(13)11-4-7-14(18)15(19)8-11;1-24(21)22-14-9-7-13(8-10-14)16-15(12-5-3-2-4-6-12)20-17(23-16)18-11-19-20/h3-13H,1-2H3;2-14H,1H3;4-11H,1-3H3;2-7H,8,23H2,1H3;2-8H,9H2,1H3;2-11H,1H3
InChIKeyJILRWLCJDOUCRK-UHFFFAOYSA-N
XLogP25.00
TPSA341.17 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002282.51
LogP ≤ 525.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze [4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate with MolForge

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Related Compounds

6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfanylperoxyphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylsulfanylperoxyphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole;2-(4-methylsulfanylperoxyphenyl)-3-phenyl-1-benzofuran;5-(4-methylsulfanylperoxyphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 157945477
6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 158789828
4-(3,4-difluorophenyl)-3-(4-methylphenyl)-2H-furan-5-one;6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 159388155
4-(3,4-difluorophenyl)-3-(4-methylphenyl)-2H-furan-5-one;6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylphenyl)furan-2-one;1-[3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone;7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)benzo[g]indazole;2-(4-methylphenyl)-3-phenyl-1-benzofuran;5-(4-methylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 161013348
[4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)benzo[g]indazole;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate
CID 162028173

Frequently Asked Questions

What is the IUPAC name of [4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate?
The IUPAC name of [4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate (CID 158926146) is [4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate.
What is the SMILES notation for [4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate?
The canonical SMILES for [4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate is CC(=O)c1cccn2c(-c3ccc(F)cc3)c(-c3ccc(OS(C)=O)cc3)nc12.COc1ccc2c(c1F)CSc1c(C(F)(F)F)nn(-c3ccc(OS(N)=O)cc3)c1-2.CS(=O)Oc1ccc(-c2oc3ccccc3c2-c2ccccc2)cc1.CS(=O)Oc1ccc(-c2sc3ncnn3c2-c2ccccc2)cc1.CS(=O)Oc1ccc(C2=C(c3ccc(F)c(F)c3)C(=O)OC2)cc1.CS(=O)Oc1ccc(C2=C(c3cccc(F)c3)C(=O)OC2(C)C)cc1.
What is the InChIKey of [4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate?
The InChIKey is JILRWLCJDOUCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3S.C21H16O3S.C19H17FO4S.C18H13F4N3O3S2.C17H12F2O4S.C17H13N3O2S2/c1-14(26)19-4-3-13-25-21(16-5-9-17(23)10-6-16)20(24-22(19)25)15-7-11-18(12-8-15)28-29(2)27;1-25(22)24-17-13-11-16(12-14-17)21-20(15-7-3-2-4-8-15)18-9-5-6-10-19(18)23-21;1-19(2)17(12-7-9-15(10-8-12)24-25(3)22)16(18(21)23-19)13-5-4-6-14(20)11-13;1-27-13-7-6-11-12(14(13)19)8-29-16-15(11)25(24-17(16)18(20,21)22)9-2-4-10(5-3-9)28-30(23)26;1-24(21)23-12-5-2-10(3-6-12)13-9-22-17(20)16(13)11-4-7-14(18)15(19)8-11;1-24(21)22-14-9-7-13(8-10-14)16-15(12-5-3-2-4-6-12)20-17(23-16)18-11-19-20/h3-13H,1-2H3;2-14H,1H3;4-11H,1-3H3;2-7H,8,23H2,1H3;2-8H,9H2,1H3;2-11H,1H3.
What are the key properties of [4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate?
[4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate has a molecular weight of 2282.51 g/mol, XLogP of 25.00, 25 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-acetyl-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]phenyl] methanesulfinate;[4-[4-(3,4-difluorophenyl)-5-oxo-2H-furan-3-yl]phenyl] methanesulfinate;6-fluoro-7-methoxy-1-(4-sulfinamoyloxyphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;[4-[4-(3-fluorophenyl)-2,2-dimethyl-5-oxofuran-3-yl]phenyl] methanesulfinate;[4-(3-phenyl-1-benzofuran-2-yl)phenyl] methanesulfinate;[4-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)phenyl] methanesulfinate is sourced from PubChem (CID 158926146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).