4-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine

C72H78F4N10O9S3 — CID 158246275

About 4-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine

4-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine (PubChem CID 158246275) has the molecular formula C72H78F4N10O9S3 and a molecular weight of 1399.67 g/mol. Its IUPAC name is 4-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine.

Molecular Properties

• Compound Name: 4-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine
• PubChem CID: 158246275
• Molecular Formula: C72H78F4N10O9S3
• Molecular Weight: 1399.67 g/mol
• Exact Mass: 1398.51
• IUPAC Name: 4-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine
• SMILES: CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)cc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)cc3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)cc3)c3ncccc23)CC1
• InChI: InChI=1S/C25H26F3N3O3S.C24H26FN3O3S.C23H26N4O3S/c1-29-10-8-18(9-11-29)23-17-31(24-7-2-19(16-22(23)24)25(26,27)28)35(32,33)21-5-3-20(4-6-21)30-12-14-34-15-13-30;1-26-10-8-18(9-11-26)23-17-28(24-7-2-19(25)16-22(23)24)32(29,30)21-5-3-20(4-6-21)27-12-14-31-15-13-27;1-25-11-8-18(9-12-25)22-17-27(23-21(22)3-2-10-24-23)31(28,29)20-6-4-19(5-7-20)26-13-15-30-16-14-26/h2-8,16-17H,9-15H2,1H3;2-8,16-17H,9-15H2,1H3;2-8,10,17H,9,11-16H2,1H3
• InChIKey: GGDPQXWIVPVNHM-UHFFFAOYSA-N
• XLogP: 10.85
• TPSA: 177.23 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1399.67
LogP ≤ 5	10.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine?

The IUPAC name of 4-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine (CID 158246275) is 4-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine.

What is the SMILES notation for 4-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine?

The canonical SMILES for 4-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine is CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)cc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)cc3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)cc3)c3ncccc23)CC1.

What is the InChIKey of 4-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine?

The InChIKey is GGDPQXWIVPVNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O3S.C24H26FN3O3S.C23H26N4O3S/c1-29-10-8-18(9-11-29)23-17-31(24-7-2-19(16-22(23)24)25(26,27)28)35(32,33)21-5-3-20(4-6-21)30-12-14-34-15-13-30;1-26-10-8-18(9-11-26)23-17-28(24-7-2-19(25)16-22(23)24)32(29,30)21-5-3-20(4-6-21)27-12-14-31-15-13-27;1-25-11-8-18(9-12-25)22-17-27(23-21(22)3-2-10-24-23)31(28,29)20-6-4-19(5-7-20)26-13-15-30-16-14-26/h2-8,16-17H,9-15H2,1H3;2-8,16-17H,9-15H2,1H3;2-8,10,17H,9,11-16H2,1H3.

What are the key properties of 4-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine?

4-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine has a molecular weight of 1399.67 g/mol, XLogP of 10.85, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine is sourced from PubChem (CID 158246275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).