5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole

C100H93F4N17O8S4 — CID 161455040

About 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole

5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole (PubChem CID 161455040) has the molecular formula C100H93F4N17O8S4 and a molecular weight of 1865.21 g/mol. Its IUPAC name is 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole.

Molecular Properties

• Compound Name: 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole
• PubChem CID: 161455040
• Molecular Formula: C100H93F4N17O8S4
• Molecular Weight: 1865.21 g/mol
• Exact Mass: 1863.62
• IUPAC Name: 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole
• SMILES: Cc1nccc(-c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(C(F)(F)F)ccc43)c2)n1.Cc1nccc(-c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(F)ccc43)c2)n1.Cc1nccc(-c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4ccccc43)c2)n1.Cc1nccc(-c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)c2)n1
• InChI: InChI=1S/C26H23F3N4O2S.C25H23FN4O2S.C25H24N4O2S.C24H23N5O2S/c1-17-30-11-8-24(31-17)19-4-3-5-21(14-19)36(34,35)33-16-23(18-9-12-32(2)13-10-18)22-15-20(26(27,28)29)6-7-25(22)33;1-17-27-11-8-24(28-17)19-4-3-5-21(14-19)33(31,32)30-16-23(18-9-12-29(2)13-10-18)22-15-20(26)6-7-25(22)30;1-18-26-13-10-24(27-18)20-6-5-7-21(16-20)32(30,31)29-17-23(19-11-14-28(2)15-12-19)22-8-3-4-9-25(22)29;1-17-25-12-8-23(27-17)19-5-3-6-20(15-19)32(30,31)29-16-22(18-9-13-28(2)14-10-18)21-7-4-11-26-24(21)29/h3-9,11,14-16H,10,12-13H2,1-2H3;3-9,11,14-16H,10,12-13H2,1-2H3;3-11,13,16-17H,12,14-15H2,1-2H3;3-9,11-12,15-16H,10,13-14H2,1-2H3
• InChIKey: WBARSTKGNXUKEX-UHFFFAOYSA-N
• XLogP: 18.00
• TPSA: 285.25 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1865.21
LogP ≤ 5	18.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole?

The IUPAC name of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole (CID 161455040) is 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole.

What is the SMILES notation for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole?

The canonical SMILES for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole is Cc1nccc(-c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(C(F)(F)F)ccc43)c2)n1.Cc1nccc(-c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(F)ccc43)c2)n1.Cc1nccc(-c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4ccccc43)c2)n1.Cc1nccc(-c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)c2)n1.

What is the InChIKey of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole?

The InChIKey is WBARSTKGNXUKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2S.C25H23FN4O2S.C25H24N4O2S.C24H23N5O2S/c1-17-30-11-8-24(31-17)19-4-3-5-21(14-19)36(34,35)33-16-23(18-9-12-32(2)13-10-18)22-15-20(26(27,28)29)6-7-25(22)33;1-17-27-11-8-24(28-17)19-4-3-5-21(14-19)33(31,32)30-16-23(18-9-12-29(2)13-10-18)22-15-20(26)6-7-25(22)30;1-18-26-13-10-24(27-18)20-6-5-7-21(16-20)32(30,31)29-17-23(19-11-14-28(2)15-12-19)22-8-3-4-9-25(22)29;1-17-25-12-8-23(27-17)19-5-3-6-20(15-19)32(30,31)29-16-22(18-9-13-28(2)14-10-18)21-7-4-11-26-24(21)29/h3-9,11,14-16H,10,12-13H2,1-2H3;3-9,11,14-16H,10,12-13H2,1-2H3;3-11,13,16-17H,12,14-15H2,1-2H3;3-9,11-12,15-16H,10,13-14H2,1-2H3.

What are the key properties of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole?

5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole has a molecular weight of 1865.21 g/mol, XLogP of 18.00, 16 rotatable bonds, 0 hydrogen bond donors, and 25 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-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole is sourced from PubChem (CID 161455040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).