6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole;6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,3-benzothiazole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole

C83H83F5N14O8S6 — CID 160628213

About 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole;6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,3-benzothiazole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole

6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole;6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,3-benzothiazole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole (PubChem CID 160628213) has the molecular formula C83H83F5N14O8S6 and a molecular weight of 1692.06 g/mol. Its IUPAC name is 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole;6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,3-benzothiazole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole.

Molecular Properties

• Compound Name: 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole;6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,3-benzothiazole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole
• PubChem CID: 160628213
• Molecular Formula: C83H83F5N14O8S6
• Molecular Weight: 1692.06 g/mol
• Exact Mass: 1690.48
• IUPAC Name: 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole;6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,3-benzothiazole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole
• SMILES: CN1CC=C(c2cn(S(=O)(=O)c3ccc4ncsc4c3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4ncsc4c3)c3ccc(F)cc23)CC1.Cc1nn(C)c(C)c1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(F)ccc21.Cc1nn(C)c(C)c1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2ccccc21
• InChI: InChI=1S/C22H18F3N3O2S2.C21H18FN3O2S2.C20H23FN4O2S.C20H24N4O2S/c1-27-8-6-14(7-9-27)18-12-28(20-5-2-15(10-17(18)20)22(23,24)25)32(29,30)16-3-4-19-21(11-16)31-13-26-19;1-24-8-6-14(7-9-24)18-12-25(20-5-2-15(22)10-17(18)20)29(26,27)16-3-4-19-21(11-16)28-13-23-19;1-13-20(14(2)24(4)22-13)28(26,27)25-12-18(15-7-9-23(3)10-8-15)17-11-16(21)5-6-19(17)25;1-14-20(15(2)23(4)21-14)27(25,26)24-13-18(16-9-11-22(3)12-10-16)17-7-5-6-8-19(17)24/h2-6,10-13H,7-9H2,1H3;2-6,10-13H,7-9H2,1H3;5-7,11-12H,8-10H2,1-4H3;5-9,13H,10-12H2,1-4H3
• InChIKey: RHOUOGQWCNVCET-UHFFFAOYSA-N
• XLogP: 15.61
• TPSA: 230.66 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1692.06
LogP ≤ 5	15.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole;6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,3-benzothiazole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole?

The IUPAC name of 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole;6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,3-benzothiazole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole (CID 160628213) is 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole;6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,3-benzothiazole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole.

What is the SMILES notation for 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole;6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,3-benzothiazole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole?

The canonical SMILES for 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole;6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,3-benzothiazole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole is CN1CC=C(c2cn(S(=O)(=O)c3ccc4ncsc4c3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4ncsc4c3)c3ccc(F)cc23)CC1.Cc1nn(C)c(C)c1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(F)ccc21.Cc1nn(C)c(C)c1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2ccccc21.

What is the InChIKey of 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole;6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,3-benzothiazole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole?

The InChIKey is RHOUOGQWCNVCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O2S2.C21H18FN3O2S2.C20H23FN4O2S.C20H24N4O2S/c1-27-8-6-14(7-9-27)18-12-28(20-5-2-15(10-17(18)20)22(23,24)25)32(29,30)16-3-4-19-21(11-16)31-13-26-19;1-24-8-6-14(7-9-24)18-12-25(20-5-2-15(22)10-17(18)20)29(26,27)16-3-4-19-21(11-16)28-13-23-19;1-13-20(14(2)24(4)22-13)28(26,27)25-12-18(15-7-9-23(3)10-8-15)17-11-16(21)5-6-19(17)25;1-14-20(15(2)23(4)21-14)27(25,26)24-13-18(16-9-11-22(3)12-10-16)17-7-5-6-8-19(17)24/h2-6,10-13H,7-9H2,1H3;2-6,10-13H,7-9H2,1H3;5-7,11-12H,8-10H2,1-4H3;5-9,13H,10-12H2,1-4H3.

What are the key properties of 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole;6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,3-benzothiazole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole?

6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole;6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,3-benzothiazole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole has a molecular weight of 1692.06 g/mol, XLogP of 15.61, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole;6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,3-benzothiazole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole is sourced from PubChem (CID 160628213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).