1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole

C61H70F4N12O6S3 — CID 158477195

About 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole (PubChem CID 158477195) has the molecular formula C61H70F4N12O6S3 and a molecular weight of 1239.50 g/mol. Its IUPAC name is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole.

Molecular Properties

• Compound Name: 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole
• PubChem CID: 158477195
• Molecular Formula: C61H70F4N12O6S3
• Molecular Weight: 1239.50 g/mol
• Exact Mass: 1238.46
• IUPAC Name: 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole
• SMILES: CCn1nc(C)c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)c1C.CCn1nc(C)c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)c1C.CN1CC=C(c2cn(S(=O)(=O)c3cnn(C)c3)c3ccccc23)CC1
• InChI: InChI=1S/C22H25F3N4O2S.C21H25FN4O2S.C18H20N4O2S/c1-5-28-15(3)21(14(2)26-28)32(30,31)29-13-19(16-8-10-27(4)11-9-16)18-12-17(22(23,24)25)6-7-20(18)29;1-5-25-15(3)21(14(2)23-25)29(27,28)26-13-19(16-8-10-24(4)11-9-16)18-12-17(22)6-7-20(18)26;1-20-9-7-14(8-10-20)17-13-22(18-6-4-3-5-16(17)18)25(23,24)15-11-19-21(2)12-15/h6-8,12-13H,5,9-11H2,1-4H3;6-8,12-13H,5,9-11H2,1-4H3;3-7,11-13H,8-10H2,1-2H3
• InChIKey: HHBSFOLGNFZCLZ-UHFFFAOYSA-N
• XLogP: 10.35
• TPSA: 180.39 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1239.50
LogP ≤ 5	10.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole?

The IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole (CID 158477195) is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole.

What is the SMILES notation for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole?

The canonical SMILES for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole is CCn1nc(C)c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)c1C.CCn1nc(C)c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)c1C.CN1CC=C(c2cn(S(=O)(=O)c3cnn(C)c3)c3ccccc23)CC1.

What is the InChIKey of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole?

The InChIKey is HHBSFOLGNFZCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2S.C21H25FN4O2S.C18H20N4O2S/c1-5-28-15(3)21(14(2)26-28)32(30,31)29-13-19(16-8-10-27(4)11-9-16)18-12-17(22(23,24)25)6-7-20(18)29;1-5-25-15(3)21(14(2)23-25)29(27,28)26-13-19(16-8-10-24(4)11-9-16)18-12-17(22)6-7-20(18)26;1-20-9-7-14(8-10-20)17-13-22(18-6-4-3-5-16(17)18)25(23,24)15-11-19-21(2)12-15/h6-8,12-13H,5,9-11H2,1-4H3;6-8,12-13H,5,9-11H2,1-4H3;3-7,11-13H,8-10H2,1-2H3.

What are the key properties of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole?

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole has a molecular weight of 1239.50 g/mol, XLogP of 10.35, 11 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole is sourced from PubChem (CID 158477195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).