4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

C69H75FN12O9S3 — CID 160873075

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

4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 160873075) has the molecular formula C69H75FN12O9S3 and a molecular weight of 1331.63 g/mol. Its IUPAC name is 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

• Compound Name: 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
• PubChem CID: 160873075
• Molecular Formula: C69H75FN12O9S3
• Molecular Weight: 1331.63 g/mol
• Exact Mass: 1330.49
• IUPAC Name: 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
• SMILES: CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)ccc21.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ccccc23)CC1
• InChI: InChI=1S/C23H25FN4O3S.C23H24N4O3S.C23H26N4O3S/c1-26-8-6-17(7-9-26)21-16-28(22-4-2-18(24)14-20(21)22)32(29,30)19-3-5-23(25-15-19)27-10-12-31-13-11-27;1-16(28)26-13-9-18-14-19(5-6-22(18)26)31(29,30)27-15-21(17-7-11-25(2)12-8-17)20-4-3-10-24-23(20)27;1-25-10-8-18(9-11-25)21-17-27(22-5-3-2-4-20(21)22)31(28,29)19-6-7-23(24-16-19)26-12-14-30-15-13-26/h2-6,14-16H,7-13H2,1H3;3-7,10,14-15H,8-9,11-13H2,1-2H3;2-8,16-17H,9-15H2,1H3
• InChIKey: SMAAKRGWRXIFPI-UHFFFAOYSA-N
• XLogP: 8.70
• TPSA: 210.85 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1331.63
LogP ≤ 5	8.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 160873075) is 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

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

The canonical SMILES for 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)ccc21.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ccccc23)CC1.

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

The InChIKey is SMAAKRGWRXIFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3S.C23H24N4O3S.C23H26N4O3S/c1-26-8-6-17(7-9-26)21-16-28(22-4-2-18(24)14-20(21)22)32(29,30)19-3-5-23(25-15-19)27-10-12-31-13-11-27;1-16(28)26-13-9-18-14-19(5-6-22(18)26)31(29,30)27-15-21(17-7-11-25(2)12-8-17)20-4-3-10-24-23(20)27;1-25-10-8-18(9-11-25)21-17-27(22-5-3-2-4-20(21)22)31(28,29)19-6-7-23(24-16-19)26-12-14-30-15-13-26/h2-6,14-16H,7-13H2,1H3;3-7,10,14-15H,8-9,11-13H2,1-2H3;2-8,16-17H,9-15H2,1H3.

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

4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 1331.63 g/mol, XLogP of 8.70, 11 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 160873075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).