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

C73H79F4N9O6S3 — CID 159002917

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

5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole (PubChem CID 159002917) has the molecular formula C73H79F4N9O6S3 and a molecular weight of 1350.68 g/mol. Its IUPAC name is 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole.

Molecular Properties

• Compound Name: 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole
• PubChem CID: 159002917
• Molecular Formula: C73H79F4N9O6S3
• Molecular Weight: 1350.68 g/mol
• Exact Mass: 1349.53
• IUPAC Name: 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole
• SMILES: CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCCC4)cc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCCC4)cc3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCCC4)cc3)c3ccccc23)CC1
• InChI: InChI=1S/C25H26F3N3O2S.C24H26FN3O2S.C24H27N3O2S/c1-29-14-10-18(11-15-29)23-17-31(24-9-4-19(16-22(23)24)25(26,27)28)34(32,33)21-7-5-20(6-8-21)30-12-2-3-13-30;1-26-14-10-18(11-15-26)23-17-28(24-9-4-19(25)16-22(23)24)31(29,30)21-7-5-20(6-8-21)27-12-2-3-13-27;1-25-16-12-19(13-17-25)23-18-27(24-7-3-2-6-22(23)24)30(28,29)21-10-8-20(9-11-21)26-14-4-5-15-26/h4-10,16-17H,2-3,11-15H2,1H3;4-10,16-17H,2-3,11-15H2,1H3;2-3,6-12,18H,4-5,13-17H2,1H3
• InChIKey: JROFECVCUOXLDJ-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 136.65 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1350.68
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole (CID 159002917) is 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole.

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

The canonical SMILES for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole is CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCCC4)cc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCCC4)cc3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCCC4)cc3)c3ccccc23)CC1.

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

The InChIKey is JROFECVCUOXLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O2S.C24H26FN3O2S.C24H27N3O2S/c1-29-14-10-18(11-15-29)23-17-31(24-9-4-19(16-22(23)24)25(26,27)28)34(32,33)21-7-5-20(6-8-21)30-12-2-3-13-30;1-26-14-10-18(11-15-26)23-17-28(24-9-4-19(25)16-22(23)24)31(29,30)21-7-5-20(6-8-21)27-12-2-3-13-27;1-25-16-12-19(13-17-25)23-18-27(24-7-3-2-6-22(23)24)30(28,29)21-10-8-20(9-11-21)26-14-4-5-15-26/h4-10,16-17H,2-3,11-15H2,1H3;4-10,16-17H,2-3,11-15H2,1H3;2-3,6-12,18H,4-5,13-17H2,1H3.

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

5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole has a molecular weight of 1350.68 g/mol, XLogP of 13.75, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(4-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole is sourced from PubChem (CID 159002917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).