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

C72H72F4N10O9S3 — CID 160904772

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

1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;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;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 160904772) has the molecular formula C72H72F4N10O9S3 and a molecular weight of 1393.62 g/mol. Its IUPAC name is 1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;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;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;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;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
• PubChem CID: 160904772
• Molecular Formula: C72H72F4N10O9S3
• Molecular Weight: 1393.62 g/mol
• Exact Mass: 1392.46
• IUPAC Name: 1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;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;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
• SMILES: CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(C(F)(F)F)ccc43)ccc21.CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(F)ccc43)ccc21.CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)ccc21
• InChI: InChI=1S/C25H24F3N3O3S.C24H24FN3O3S.C23H24N4O3S/c1-16(32)30-12-9-18-13-20(4-6-23(18)30)35(33,34)31-15-22(17-7-10-29(2)11-8-17)21-14-19(25(26,27)28)3-5-24(21)31;1-16(29)27-12-9-18-13-20(4-6-23(18)27)32(30,31)28-15-22(17-7-10-26(2)11-8-17)21-14-19(25)3-5-24(21)28;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/h3-7,13-15H,8-12H2,1-2H3;3-7,13-15H,8-12H2,1-2H3;3-7,10,14-15H,8-9,11-13H2,1-2H3
• InChIKey: SPZKOPVDBKYNMF-UHFFFAOYSA-N
• XLogP: 11.07
• TPSA: 200.75 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1393.62
LogP ≤ 5	11.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;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;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 160904772) is 1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;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;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

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

The canonical SMILES for 1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;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;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(C(F)(F)F)ccc43)ccc21.CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(F)ccc43)ccc21.CC(=O)N1CCc2cc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)ccc21.

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

The InChIKey is SPZKOPVDBKYNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O3S.C24H24FN3O3S.C23H24N4O3S/c1-16(32)30-12-9-18-13-20(4-6-23(18)30)35(33,34)31-15-22(17-7-10-29(2)11-8-17)21-14-19(25(26,27)28)3-5-24(21)31;1-16(29)27-12-9-18-13-20(4-6-23(18)27)32(30,31)28-15-22(17-7-10-26(2)11-8-17)21-14-19(25)3-5-24(21)28;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/h3-7,13-15H,8-12H2,1-2H3;3-7,13-15H,8-12H2,1-2H3;3-7,10,14-15H,8-9,11-13H2,1-2H3.

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

1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;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;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 1393.62 g/mol, XLogP of 11.07, 9 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone;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;1-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 160904772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).