bis(6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoropyrimidin-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide);6-[3-cyano-6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-1-(5-fluoro-3-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[5-fluoro-1-(2-fluoro-4-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C137H103F28N33O12S6 — CID 159365453

About bis(6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoropyrimidin-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide);6-[3-cyano-6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-1-(5-fluoro-3-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[5-fluoro-1-(2-fluoro-4-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

bis(6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoropyrimidin-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide);6-[3-cyano-6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-1-(5-fluoro-3-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[5-fluoro-1-(2-fluoro-4-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 159365453) has the molecular formula C137H103F28N33O12S6 and a molecular weight of 3127.90 g/mol. Its IUPAC name is bis(6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoropyrimidin-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide);6-[3-cyano-6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-1-(5-fluoro-3-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[5-fluoro-1-(2-fluoro-4-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: bis(6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoropyrimidin-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide);6-[3-cyano-6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-1-(5-fluoro-3-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[5-fluoro-1-(2-fluoro-4-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• PubChem CID: 159365453
• Molecular Formula: C137H103F28N33O12S6
• Molecular Weight: 3127.90 g/mol
• Exact Mass: 3125.63
• IUPAC Name: bis(6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoropyrimidin-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide);6-[3-cyano-6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-1-(5-fluoro-3-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[5-fluoro-1-(2-fluoro-4-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
• SMILES: CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccnc(C)n1.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncc(F)cn1.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncc(F)cn1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cncc(F)c1.Cc1cc2c(cc1F)cc(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccnc(F)c1.Cc1ccc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncc(F)cn1
• InChI: InChI=1S/C24H20F4N6O2S.2C23H17F5N6O2S.C23H16F5N5O2S.C22H17F5N4O2S.C22H16F4N6O2S/c1-4-15-9-21-17(10-19(15)25)18(11-29)23(34(21)22-7-8-30-14(3)32-22)20-6-5-16(12-31-20)37(35,36)33-13(2)24(26,27)28;2*1-3-13-6-20-16(7-18(13)25)17(8-29)21(34(20)22-31-9-14(24)10-32-22)19-5-4-15(11-30-19)37(35,36)33-12(2)23(26,27)28;1-12-5-21-17(7-19(12)25)18(8-29)22(33(21)15-6-14(24)9-30-10-15)20-4-3-16(11-31-20)36(34,35)32-13(2)23(26,27)28;1-12-7-19-14(8-17(12)23)9-20(31(19)15-5-6-28-21(24)10-15)18-4-3-16(11-29-18)34(32,33)30-13(2)22(25,26)27;1-12-3-6-19-16(7-12)17(8-27)20(32(19)21-29-9-14(23)10-30-21)18-5-4-15(11-28-18)35(33,34)31-13(2)22(24,25)26/h5-10,12-13,33H,4H2,1-3H3;2*4-7,9-12,33H,3H2,1-2H3;3-7,9-11,13,32H,1-2H3;3-11,13,30H,1-2H3;3-7,9-11,13,31H,1-2H3/t13-;2*12-;3*13-/m000000/s1
• InChIKey: LJBMRYCIGHLPMA-PFMQRWEKSA-N
• XLogP: 27.15
• TPSA: 631.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 33
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3127.90
LogP ≤ 5	27.15
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoropyrimidin-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide);6-[3-cyano-6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-1-(5-fluoro-3-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[5-fluoro-1-(2-fluoro-4-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The IUPAC name of bis(6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoropyrimidin-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide);6-[3-cyano-6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-1-(5-fluoro-3-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[5-fluoro-1-(2-fluoro-4-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 159365453) is bis(6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoropyrimidin-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide);6-[3-cyano-6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-1-(5-fluoro-3-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[5-fluoro-1-(2-fluoro-4-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

What is the SMILES notation for bis(6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoropyrimidin-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide);6-[3-cyano-6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-1-(5-fluoro-3-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[5-fluoro-1-(2-fluoro-4-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The canonical SMILES for bis(6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoropyrimidin-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide);6-[3-cyano-6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-1-(5-fluoro-3-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[5-fluoro-1-(2-fluoro-4-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccnc(C)n1.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncc(F)cn1.CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncc(F)cn1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cncc(F)c1.Cc1cc2c(cc1F)cc(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccnc(F)c1.Cc1ccc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncc(F)cn1.

What is the InChIKey of bis(6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoropyrimidin-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide);6-[3-cyano-6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-1-(5-fluoro-3-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[5-fluoro-1-(2-fluoro-4-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

The InChIKey is LJBMRYCIGHLPMA-PFMQRWEKSA-N. The full InChI is InChI=1S/C24H20F4N6O2S.2C23H17F5N6O2S.C23H16F5N5O2S.C22H17F5N4O2S.C22H16F4N6O2S/c1-4-15-9-21-17(10-19(15)25)18(11-29)23(34(21)22-7-8-30-14(3)32-22)20-6-5-16(12-31-20)37(35,36)33-13(2)24(26,27)28;2*1-3-13-6-20-16(7-18(13)25)17(8-29)21(34(20)22-31-9-14(24)10-32-22)19-5-4-15(11-30-19)37(35,36)33-12(2)23(26,27)28;1-12-5-21-17(7-19(12)25)18(8-29)22(33(21)15-6-14(24)9-30-10-15)20-4-3-16(11-31-20)36(34,35)32-13(2)23(26,27)28;1-12-7-19-14(8-17(12)23)9-20(31(19)15-5-6-28-21(24)10-15)18-4-3-16(11-29-18)34(32,33)30-13(2)22(25,26)27;1-12-3-6-19-16(7-12)17(8-27)20(32(19)21-29-9-14(23)10-30-21)18-5-4-15(11-28-18)35(33,34)31-13(2)22(24,25)26/h5-10,12-13,33H,4H2,1-3H3;2*4-7,9-12,33H,3H2,1-2H3;3-7,9-11,13,32H,1-2H3;3-11,13,30H,1-2H3;3-7,9-11,13,31H,1-2H3/t13-;2*12-;3*13-/m000000/s1.

What are the key properties of bis(6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoropyrimidin-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide);6-[3-cyano-6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-1-(5-fluoro-3-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[5-fluoro-1-(2-fluoro-4-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?

bis(6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoropyrimidin-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide);6-[3-cyano-6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-1-(5-fluoro-3-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[5-fluoro-1-(2-fluoro-4-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 3127.90 g/mol, XLogP of 27.15, 33 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoropyrimidin-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide);6-[3-cyano-6-ethyl-5-fluoro-1-(2-methylpyrimidin-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-1-(5-fluoro-3-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(5-fluoropyrimidin-2-yl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[5-fluoro-1-(2-fluoro-4-pyridinyl)-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 159365453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).