6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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

C77H58F7N7O3S2 — CID 161302803

IUPAC6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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
SMILESCOc1ccc2c(c1F)CSc1c(C(F)(F)F)nn(-c3ccc(C)cc3)c1-2.COc1ccc2c(ccc3c(C(F)(F)F)nn(-c4ccc(C)cc4)c32)c1.Cc1ccc(-c2oc3ccccc3c2-c2ccccc2)cc1.Cc1ccc(-c2sc3ncnn3c2-c2ccccc2)cc1
InChIInChI=1S/C21H16O.C20H15F3N2O.C19H14F4N2OS.C17H13N3S/c1-15-11-13-17(14-12-15)21-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)22-21;1-12-3-6-14(7-4-12)25-18-16-10-8-15(26-2)11-13(16)5-9-17(18)19(24-25)20(21,22)23;1-10-3-5-11(6-4-10)25-16-12-7-8-14(26-2)15(20)13(12)9-27-17(16)18(24-25)19(21,22)23;1-12-7-9-14(10-8-12)16-15(13-5-3-2-4-6-13)20-17(21-16)18-11-19-20/h2-14H,1H3;3-11H,1-2H3;3-8H,9H2,1-2H3;2-11H,1H3
InChIKeyVHVOXSKYROATLT-UHFFFAOYSA-N
MW1326.48 g/mol
LogP21.64
Rot. Bonds8

About 6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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

6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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 (PubChem CID 161302803) has the molecular formula C77H58F7N7O3S2 and a molecular weight of 1326.48 g/mol. Its IUPAC name is 6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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.

Molecular Properties

Compound Name6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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
PubChem CID161302803
Molecular FormulaC77H58F7N7O3S2
Molecular Weight1326.48 g/mol
Exact Mass1325.39
IUPAC Name6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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
SMILESCOc1ccc2c(c1F)CSc1c(C(F)(F)F)nn(-c3ccc(C)cc3)c1-2.COc1ccc2c(ccc3c(C(F)(F)F)nn(-c4ccc(C)cc4)c32)c1.Cc1ccc(-c2oc3ccccc3c2-c2ccccc2)cc1.Cc1ccc(-c2sc3ncnn3c2-c2ccccc2)cc1
InChIInChI=1S/C21H16O.C20H15F3N2O.C19H14F4N2OS.C17H13N3S/c1-15-11-13-17(14-12-15)21-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)22-21;1-12-3-6-14(7-4-12)25-18-16-10-8-15(26-2)11-13(16)5-9-17(18)19(24-25)20(21,22)23;1-10-3-5-11(6-4-10)25-16-12-7-8-14(26-2)15(20)13(12)9-27-17(16)18(24-25)19(21,22)23;1-12-7-9-14(10-8-12)16-15(13-5-3-2-4-6-13)20-17(21-16)18-11-19-20/h2-14H,1H3;3-11H,1-2H3;3-8H,9H2,1-2H3;2-11H,1H3
InChIKeyVHVOXSKYROATLT-UHFFFAOYSA-N
XLogP21.64
TPSA97.43 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001326.48
LogP ≤ 521.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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 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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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?
The IUPAC name of 6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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 161302803) is 6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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.
What is the SMILES notation for 6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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?
The canonical SMILES for 6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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 is COc1ccc2c(c1F)CSc1c(C(F)(F)F)nn(-c3ccc(C)cc3)c1-2.COc1ccc2c(ccc3c(C(F)(F)F)nn(-c4ccc(C)cc4)c32)c1.Cc1ccc(-c2oc3ccccc3c2-c2ccccc2)cc1.Cc1ccc(-c2sc3ncnn3c2-c2ccccc2)cc1.
What is the InChIKey of 6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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?
The InChIKey is VHVOXSKYROATLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O.C20H15F3N2O.C19H14F4N2OS.C17H13N3S/c1-15-11-13-17(14-12-15)21-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)22-21;1-12-3-6-14(7-4-12)25-18-16-10-8-15(26-2)11-13(16)5-9-17(18)19(24-25)20(21,22)23;1-10-3-5-11(6-4-10)25-16-12-7-8-14(26-2)15(20)13(12)9-27-17(16)18(24-25)19(21,22)23;1-12-7-9-14(10-8-12)16-15(13-5-3-2-4-6-13)20-17(21-16)18-11-19-20/h2-14H,1H3;3-11H,1-2H3;3-8H,9H2,1-2H3;2-11H,1H3.
What are the key properties of 6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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?
6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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 has a molecular weight of 1326.48 g/mol, XLogP of 21.64, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-methoxy-1-(4-methylphenyl)-3-(trifluoromethyl)-5H-isothiochromeno[4,3-c]pyrazole;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 is sourced from PubChem (CID 161302803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).