6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3-fluoro-2-pyridinyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-hydroxy-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;5-methyl-1-pyrimidin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide

C136H119F20N31O15S6 — CID 160703513

About 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3-fluoro-2-pyridinyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-hydroxy-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;5-methyl-1-pyrimidin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide

6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3-fluoro-2-pyridinyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-hydroxy-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;5-methyl-1-pyrimidin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide (PubChem CID 160703513) has the molecular formula C136H119F20N31O15S6 and a molecular weight of 3000.01 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3-fluoro-2-pyridinyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-hydroxy-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;5-methyl-1-pyrimidin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide.

Molecular Properties

• Compound Name: 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3-fluoro-2-pyridinyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-hydroxy-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;5-methyl-1-pyrimidin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
• PubChem CID: 160703513
• Molecular Formula: C136H119F20N31O15S6
• Molecular Weight: 3000.01 g/mol
• Exact Mass: 2997.75
• IUPAC Name: 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3-fluoro-2-pyridinyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-hydroxy-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;5-methyl-1-pyrimidin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide
• SMILES: Cc1cc2c(cc1F)c(C#N)c(-c1cc(C)c(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCCC1.Cc1cc2c(cc1O)c(C(N)=O)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCCC1.Cc1ccc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cnccn1.Cc1ccc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncccc1F.Cc1ccc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncccn1.Cc1ccc2c(c1)c(C(N)=O)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncccn1
• InChI: InChI=1S/C24H24F4N4O2S.C23H17F4N5O2S.C23H25F3N4O4S.C22H19F3N6O3S.2C22H17F3N6O2S/c1-13-9-21-17(10-19(13)25)18(11-29)23(32(21)16-6-4-5-7-16)20-8-14(2)22(12-30-20)35(33,34)31-15(3)24(26,27)28;1-13-5-8-20-16(10-13)17(11-28)21(32(20)22-18(24)4-3-9-29-22)19-7-6-15(12-30-19)35(33,34)31-14(2)23(25,26)27;1-12-9-18-16(10-19(12)31)20(22(27)32)21(30(18)14-5-3-4-6-14)17-8-7-15(11-28-17)35(33,34)29-13(2)23(24,25)26;1-12-4-7-17-15(10-12)18(20(26)32)19(31(17)21-27-8-3-9-28-21)16-6-5-14(11-29-16)35(33,34)30-13(2)22(23,24)25;1-13-4-7-19-16(10-13)17(11-26)20(31(19)21-27-8-3-9-28-21)18-6-5-15(12-29-18)34(32,33)30-14(2)22(23,24)25;1-13-3-6-19-16(9-13)17(10-26)21(31(19)20-12-27-7-8-28-20)18-5-4-15(11-29-18)34(32,33)30-14(2)22(23,24)25/h8-10,12,15-16,31H,4-7H2,1-3H3;3-10,12,14,31H,1-2H3;7-11,13-14,29,31H,3-6H2,1-2H3,(H2,27,32);3-11,13,30H,1-2H3,(H2,26,32);3-10,12,14,30H,1-2H3;3-9,11-12,14,30H,1-2H3/t15-;14-;2*13-;2*14-/m000000/s1
• InChIKey: RQXPVUUJMVSRSM-PIOYYFDRSA-N
• XLogP: 25.37
• TPSA: 675.74 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 32
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3000.01
LogP ≤ 5	25.37
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3-fluoro-2-pyridinyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-hydroxy-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;5-methyl-1-pyrimidin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?

The IUPAC name of 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3-fluoro-2-pyridinyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-hydroxy-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;5-methyl-1-pyrimidin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide (CID 160703513) is 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3-fluoro-2-pyridinyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-hydroxy-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;5-methyl-1-pyrimidin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide.

What is the SMILES notation for 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3-fluoro-2-pyridinyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-hydroxy-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;5-methyl-1-pyrimidin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?

The canonical SMILES for 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3-fluoro-2-pyridinyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-hydroxy-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;5-methyl-1-pyrimidin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide is Cc1cc2c(cc1F)c(C#N)c(-c1cc(C)c(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCCC1.Cc1cc2c(cc1O)c(C(N)=O)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCCC1.Cc1ccc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cnccn1.Cc1ccc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncccc1F.Cc1ccc2c(c1)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncccn1.Cc1ccc2c(c1)c(C(N)=O)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ncccn1.

What is the InChIKey of 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3-fluoro-2-pyridinyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-hydroxy-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;5-methyl-1-pyrimidin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?

The InChIKey is RQXPVUUJMVSRSM-PIOYYFDRSA-N. The full InChI is InChI=1S/C24H24F4N4O2S.C23H17F4N5O2S.C23H25F3N4O4S.C22H19F3N6O3S.2C22H17F3N6O2S/c1-13-9-21-17(10-19(13)25)18(11-29)23(32(21)16-6-4-5-7-16)20-8-14(2)22(12-30-20)35(33,34)31-15(3)24(26,27)28;1-13-5-8-20-16(10-13)17(11-28)21(32(20)22-18(24)4-3-9-29-22)19-7-6-15(12-30-19)35(33,34)31-14(2)23(25,26)27;1-12-9-18-16(10-19(12)31)20(22(27)32)21(30(18)14-5-3-4-6-14)17-8-7-15(11-28-17)35(33,34)29-13(2)23(24,25)26;1-12-4-7-17-15(10-12)18(20(26)32)19(31(17)21-27-8-3-9-28-21)16-6-5-14(11-29-16)35(33,34)30-13(2)22(23,24)25;1-13-4-7-19-16(10-13)17(11-26)20(31(19)21-27-8-3-9-28-21)18-6-5-15(12-29-18)34(32,33)30-14(2)22(23,24)25;1-13-3-6-19-16(9-13)17(10-26)21(31(19)20-12-27-7-8-28-20)18-5-4-15(11-29-18)34(32,33)30-14(2)22(23,24)25/h8-10,12,15-16,31H,4-7H2,1-3H3;3-10,12,14,31H,1-2H3;7-11,13-14,29,31H,3-6H2,1-2H3,(H2,27,32);3-11,13,30H,1-2H3,(H2,26,32);3-10,12,14,30H,1-2H3;3-9,11-12,14,30H,1-2H3/t15-;14-;2*13-;2*14-/m000000/s1.

What are the key properties of 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3-fluoro-2-pyridinyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-hydroxy-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;5-methyl-1-pyrimidin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide?

6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3-fluoro-2-pyridinyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-hydroxy-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;5-methyl-1-pyrimidin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide has a molecular weight of 3000.01 g/mol, XLogP of 25.37, 32 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-4-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-1-(3-fluoro-2-pyridinyl)-5-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrazin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-(3-cyano-5-methyl-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;1-cyclopentyl-5-hydroxy-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;5-methyl-1-pyrimidin-2-yl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide is sourced from PubChem (CID 160703513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).