6-[3-cyano-6-ethyl-5-fluoro-1-(6-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(5-methyl-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-(2-methyl-1,3-dioxolan-2-yl)-1-pyrimidin-2-ylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylic acid

C122H102F23N25O15S5 — CID 158793925

About 6-[3-cyano-6-ethyl-5-fluoro-1-(6-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(5-methyl-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-(2-methyl-1,3-dioxolan-2-yl)-1-pyrimidin-2-ylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylic acid

6-[3-cyano-6-ethyl-5-fluoro-1-(6-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(5-methyl-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-(2-methyl-1,3-dioxolan-2-yl)-1-pyrimidin-2-ylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylic acid (PubChem CID 158793925) has the molecular formula C122H102F23N25O15S5 and a molecular weight of 2755.61 g/mol. Its IUPAC name is 6-[3-cyano-6-ethyl-5-fluoro-1-(6-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(5-methyl-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-(2-methyl-1,3-dioxolan-2-yl)-1-pyrimidin-2-ylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[3-cyano-6-ethyl-5-fluoro-1-(6-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(5-methyl-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-(2-methyl-1,3-dioxolan-2-yl)-1-pyrimidin-2-ylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylic acid
• PubChem CID: 158793925
• Molecular Formula: C122H102F23N25O15S5
• Molecular Weight: 2755.61 g/mol
• Exact Mass: 2753.62
• IUPAC Name: 6-[3-cyano-6-ethyl-5-fluoro-1-(6-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(5-methyl-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-(2-methyl-1,3-dioxolan-2-yl)-1-pyrimidin-2-ylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylic acid
• SMILES: CC(C)(NS(=O)(=O)c1ccc(-c2c(C(=O)O)c3cc(F)c(OC(F)F)cc3n2C2CCCCC2)nc1)C(F)(F)F.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(C)cn1.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cccc(F)n1.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cnccn1.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C4(C)OCCO4)cc3n2-c2ncccn2)nc1)C(F)(F)F
• InChI: InChI=1S/C25H25F6N3O5S.C25H20F4N6O4S.C25H21F4N5O2S.C24H18F5N5O2S.C23H18F4N6O2S/c1-24(2,25(29,30)31)33-40(37,38)14-8-9-17(32-12-14)21-20(22(35)36)15-10-16(26)19(39-23(27)28)11-18(15)34(21)13-6-4-3-5-7-13;1-14(25(27,28)29)34-40(36,37)15-4-5-20(33-13-15)22-17(12-30)16-10-19(26)18(24(2)38-8-9-39-24)11-21(16)35(22)23-31-6-3-7-32-23;1-4-16-9-22-18(10-20(16)26)19(11-30)24(34(22)23-8-5-14(2)12-32-23)21-7-6-17(13-31-21)37(35,36)33-15(3)25(27,28)29;1-3-14-9-20-16(10-18(14)25)17(11-30)23(34(20)22-6-4-5-21(26)32-22)19-8-7-15(12-31-19)37(35,36)33-13(2)24(27,28)29;1-3-14-8-20-16(9-18(14)24)17(10-28)22(33(20)21-12-29-6-7-30-21)19-5-4-15(11-31-19)36(34,35)32-13(2)23(25,26)27/h8-13,23,33H,3-7H2,1-2H3,(H,35,36);3-7,10-11,13-14,34H,8-9H2,1-2H3;5-10,12-13,15,33H,4H2,1-3H3;4-10,12-13,33H,3H2,1-2H3;4-9,11-13,32H,3H2,1-2H3/t;14-;15-;2*13-/m.0000/s1
• InChIKey: ISPYJGZDFMHNBZ-XKDPYSEQSA-N
• XLogP: 24.72
• TPSA: 557.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 32
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2755.61
LogP ≤ 5	24.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-6-ethyl-5-fluoro-1-(6-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(5-methyl-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-(2-methyl-1,3-dioxolan-2-yl)-1-pyrimidin-2-ylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylic acid?

The IUPAC name of 6-[3-cyano-6-ethyl-5-fluoro-1-(6-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(5-methyl-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-(2-methyl-1,3-dioxolan-2-yl)-1-pyrimidin-2-ylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylic acid (CID 158793925) is 6-[3-cyano-6-ethyl-5-fluoro-1-(6-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(5-methyl-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-(2-methyl-1,3-dioxolan-2-yl)-1-pyrimidin-2-ylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylic acid.

What is the SMILES notation for 6-[3-cyano-6-ethyl-5-fluoro-1-(6-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(5-methyl-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-(2-methyl-1,3-dioxolan-2-yl)-1-pyrimidin-2-ylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylic acid?

The canonical SMILES for 6-[3-cyano-6-ethyl-5-fluoro-1-(6-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(5-methyl-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-(2-methyl-1,3-dioxolan-2-yl)-1-pyrimidin-2-ylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylic acid is CC(C)(NS(=O)(=O)c1ccc(-c2c(C(=O)O)c3cc(F)c(OC(F)F)cc3n2C2CCCCC2)nc1)C(F)(F)F.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(C)cn1.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cccc(F)n1.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cnccn1.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C4(C)OCCO4)cc3n2-c2ncccn2)nc1)C(F)(F)F.

What is the InChIKey of 6-[3-cyano-6-ethyl-5-fluoro-1-(6-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(5-methyl-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-(2-methyl-1,3-dioxolan-2-yl)-1-pyrimidin-2-ylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylic acid?

The InChIKey is ISPYJGZDFMHNBZ-XKDPYSEQSA-N. The full InChI is InChI=1S/C25H25F6N3O5S.C25H20F4N6O4S.C25H21F4N5O2S.C24H18F5N5O2S.C23H18F4N6O2S/c1-24(2,25(29,30)31)33-40(37,38)14-8-9-17(32-12-14)21-20(22(35)36)15-10-16(26)19(39-23(27)28)11-18(15)34(21)13-6-4-3-5-7-13;1-14(25(27,28)29)34-40(36,37)15-4-5-20(33-13-15)22-17(12-30)16-10-19(26)18(24(2)38-8-9-39-24)11-21(16)35(22)23-31-6-3-7-32-23;1-4-16-9-22-18(10-20(16)26)19(11-30)24(34(22)23-8-5-14(2)12-32-23)21-7-6-17(13-31-21)37(35,36)33-15(3)25(27,28)29;1-3-14-9-20-16(10-18(14)25)17(11-30)23(34(20)22-6-4-5-21(26)32-22)19-8-7-15(12-31-19)37(35,36)33-13(2)24(27,28)29;1-3-14-8-20-16(9-18(14)24)17(10-28)22(33(20)21-12-29-6-7-30-21)19-5-4-15(11-31-19)36(34,35)32-13(2)23(25,26)27/h8-13,23,33H,3-7H2,1-2H3,(H,35,36);3-7,10-11,13-14,34H,8-9H2,1-2H3;5-10,12-13,15,33H,4H2,1-3H3;4-10,12-13,33H,3H2,1-2H3;4-9,11-13,32H,3H2,1-2H3/t;14-;15-;2*13-/m.0000/s1.

What are the key properties of 6-[3-cyano-6-ethyl-5-fluoro-1-(6-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(5-methyl-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-(2-methyl-1,3-dioxolan-2-yl)-1-pyrimidin-2-ylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylic acid?

6-[3-cyano-6-ethyl-5-fluoro-1-(6-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(5-methyl-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-(2-methyl-1,3-dioxolan-2-yl)-1-pyrimidin-2-ylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylic acid has a molecular weight of 2755.61 g/mol, XLogP of 24.72, 32 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-cyano-6-ethyl-5-fluoro-1-(6-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-6-ethyl-5-fluoro-1-(5-methyl-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-6-ethyl-5-fluoro-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-(2-methyl-1,3-dioxolan-2-yl)-1-pyrimidin-2-ylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclohexyl-6-(difluoromethoxy)-5-fluoro-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylic acid is sourced from PubChem (CID 158793925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).