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

C68H73F3N12O8S3 — CID 158880930

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

1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine (PubChem CID 158880930) has the molecular formula C68H73F3N12O8S3 and a molecular weight of 1339.60 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine
• PubChem CID: 158880930
• Molecular Formula: C68H73F3N12O8S3
• Molecular Weight: 1339.60 g/mol
• Exact Mass: 1338.48
• IUPAC Name: 1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine
• SMILES: CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ncccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCN4)c3ccccc23)CC1
• InChI: InChI=1S/C24H25F3N4O3S.C22H25N5O3S.C22H23N3O2S/c1-29-8-6-17(7-9-29)21-16-31(22-4-2-18(14-20(21)22)24(25,26)27)35(32,33)19-3-5-23(28-15-19)30-10-12-34-13-11-30;1-25-9-6-17(7-10-25)20-16-27(22-19(20)3-2-8-23-22)31(28,29)18-4-5-21(24-15-18)26-11-13-30-14-12-26;1-24-12-9-16(10-13-24)20-15-25(22-5-3-2-4-19(20)22)28(26,27)18-6-7-21-17(14-18)8-11-23-21/h2-6,14-16H,7-13H2,1H3;2-6,8,15-16H,7,9-14H2,1H3;2-7,9,14-15,23H,8,10-13H2,1H3
• InChIKey: JDAFEXFCVBQGNP-UHFFFAOYSA-N
• XLogP: 9.64
• TPSA: 202.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1339.60
LogP ≤ 5	9.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of 1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine (CID 158880930) is 1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine.

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

The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine is CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)nc3)c3ncccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCN4)c3ccccc23)CC1.

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

The InChIKey is JDAFEXFCVBQGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3S.C22H25N5O3S.C22H23N3O2S/c1-29-8-6-17(7-9-29)21-16-31(22-4-2-18(14-20(21)22)24(25,26)27)35(32,33)19-3-5-23(28-15-19)30-10-12-34-13-11-30;1-25-9-6-17(7-10-25)20-16-27(22-19(20)3-2-8-23-22)31(28,29)18-4-5-21(24-15-18)26-11-13-30-14-12-26;1-24-12-9-16(10-13-24)20-15-25(22-5-3-2-4-19(20)22)28(26,27)18-6-7-21-17(14-18)8-11-23-21/h2-6,14-16H,7-13H2,1H3;2-6,8,15-16H,7,9-14H2,1H3;2-7,9,14-15,23H,8,10-13H2,1H3.

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

1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine has a molecular weight of 1339.60 g/mol, XLogP of 9.64, 11 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine is sourced from PubChem (CID 158880930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).