N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[[6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-3-pyridinyl]sulfonyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;1-cyclobutyl-5-fluoro-6-hydroxy-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxamide

C139H138ClF20N27O17S6 — CID 159181672

About N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[[6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-3-pyridinyl]sulfonyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;1-cyclobutyl-5-fluoro-6-hydroxy-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxamide

N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[[6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-3-pyridinyl]sulfonyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;1-cyclobutyl-5-fluoro-6-hydroxy-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxamide (PubChem CID 159181672) has the molecular formula C139H138ClF20N27O17S6 and a molecular weight of 3066.62 g/mol. Its IUPAC name is N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[[6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-3-pyridinyl]sulfonyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;1-cyclobutyl-5-fluoro-6-hydroxy-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[[6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-3-pyridinyl]sulfonyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;1-cyclobutyl-5-fluoro-6-hydroxy-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxamide
• PubChem CID: 159181672
• Molecular Formula: C139H138ClF20N27O17S6
• Molecular Weight: 3066.62 g/mol
• Exact Mass: 3063.85
• IUPAC Name: N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[[6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-3-pyridinyl]sulfonyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;1-cyclobutyl-5-fluoro-6-hydroxy-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxamide
• SMILES: CC(=O)N([C@H](C)C(F)(F)F)S(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C)cc3n2C2CCCC2)nc1.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)ccc3n2-c2ncccn2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(F)c(O)cc3n2C2CCC2)nc1)C(F)(F)F.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCCCC1.Cc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCCCC1.Cc1cc2c(cc1F)c(C(N)=O)c(-c1ncc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCCCC1
• InChI: InChI=1S/C25H24F4N4O3S.C25H29FN4O2S.C24H26F4N4O3S.C23H25F4N5O3S.C21H14ClF3N6O2S.C21H20F4N4O4S/c1-14-10-23-19(11-21(14)26)20(12-30)24(32(23)17-6-4-5-7-17)22-9-8-18(13-31-22)37(35,36)33(16(3)34)15(2)25(27,28)29;1-16-12-23-19(13-21(16)26)20(14-27)24(30(23)17-8-6-5-7-9-17)22-11-10-18(15-28-22)33(31,32)29-25(2,3)4;1-13-10-20-17(11-18(13)25)21(23(29)33)22(32(20)15-6-4-3-5-7-15)19-9-8-16(12-30-19)36(34,35)31-14(2)24(26,27)28;1-12-8-18-16(9-17(12)24)19(21(28)33)20(32(18)14-6-4-3-5-7-14)22-29-10-15(11-30-22)36(34,35)31-13(2)23(25,26)27;1-12(21(23,24)25)30-34(32,33)14-4-5-17(29-11-14)19-16(10-26)15-9-13(22)3-6-18(15)31(19)20-27-7-2-8-28-20;1-10(21(23,24)25)28-34(32,33)12-5-6-15(27-9-12)19-18(20(26)31)13-7-14(22)17(30)8-16(13)29(19)11-3-2-4-11/h8-11,13,15,17H,4-7H2,1-3H3;10-13,15,17,29H,5-9H2,1-4H3;8-12,14-15,31H,3-7H2,1-2H3,(H2,29,33);8-11,13-14,31H,3-7H2,1-2H3,(H2,28,33);2-9,11-12,30H,1H3;5-11,28,30H,2-4H2,1H3,(H2,26,31)/t15-;;14-;13-;12-;10-/m1.0000/s1
• InChIKey: KMYWWLXHOARJDR-OIUMUORQSA-N
• XLogP: 28.43
• TPSA: 651.76 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3066.62
LogP ≤ 5	28.43
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[[6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-3-pyridinyl]sulfonyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;1-cyclobutyl-5-fluoro-6-hydroxy-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxamide?

The IUPAC name of N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[[6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-3-pyridinyl]sulfonyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;1-cyclobutyl-5-fluoro-6-hydroxy-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxamide (CID 159181672) is N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[[6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-3-pyridinyl]sulfonyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;1-cyclobutyl-5-fluoro-6-hydroxy-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxamide.

What is the SMILES notation for N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[[6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-3-pyridinyl]sulfonyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;1-cyclobutyl-5-fluoro-6-hydroxy-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxamide?

The canonical SMILES for N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[[6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-3-pyridinyl]sulfonyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;1-cyclobutyl-5-fluoro-6-hydroxy-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxamide is CC(=O)N([C@H](C)C(F)(F)F)S(=O)(=O)c1ccc(-c2c(C#N)c3cc(F)c(C)cc3n2C2CCCC2)nc1.C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3cc(Cl)ccc3n2-c2ncccn2)nc1)C(F)(F)F.C[C@H](NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(F)c(O)cc3n2C2CCC2)nc1)C(F)(F)F.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCCCC1.Cc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCCCC1.Cc1cc2c(cc1F)c(C(N)=O)c(-c1ncc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCCCC1.

What is the InChIKey of N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[[6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-3-pyridinyl]sulfonyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;1-cyclobutyl-5-fluoro-6-hydroxy-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxamide?

The InChIKey is KMYWWLXHOARJDR-OIUMUORQSA-N. The full InChI is InChI=1S/C25H24F4N4O3S.C25H29FN4O2S.C24H26F4N4O3S.C23H25F4N5O3S.C21H14ClF3N6O2S.C21H20F4N4O4S/c1-14-10-23-19(11-21(14)26)20(12-30)24(32(23)17-6-4-5-7-17)22-9-8-18(13-31-22)37(35,36)33(16(3)34)15(2)25(27,28)29;1-16-12-23-19(13-21(16)26)20(14-27)24(30(23)17-8-6-5-7-9-17)22-11-10-18(15-28-22)33(31,32)29-25(2,3)4;1-13-10-20-17(11-18(13)25)21(23(29)33)22(32(20)15-6-4-3-5-7-15)19-9-8-16(12-30-19)36(34,35)31-14(2)24(26,27)28;1-12-8-18-16(9-17(12)24)19(21(28)33)20(32(18)14-6-4-3-5-7-14)22-29-10-15(11-30-22)36(34,35)31-13(2)23(25,26)27;1-12(21(23,24)25)30-34(32,33)14-4-5-17(29-11-14)19-16(10-26)15-9-13(22)3-6-18(15)31(19)20-27-7-2-8-28-20;1-10(21(23,24)25)28-34(32,33)12-5-6-15(27-9-12)19-18(20(26)31)13-7-14(22)17(30)8-16(13)29(19)11-3-2-4-11/h8-11,13,15,17H,4-7H2,1-3H3;10-13,15,17,29H,5-9H2,1-4H3;8-12,14-15,31H,3-7H2,1-2H3,(H2,29,33);8-11,13-14,31H,3-7H2,1-2H3,(H2,28,33);2-9,11-12,30H,1H3;5-11,28,30H,2-4H2,1H3,(H2,26,31)/t15-;;14-;13-;12-;10-/m1.0000/s1.

What are the key properties of N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[[6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-3-pyridinyl]sulfonyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;1-cyclobutyl-5-fluoro-6-hydroxy-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxamide?

N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[[6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-3-pyridinyl]sulfonyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;1-cyclobutyl-5-fluoro-6-hydroxy-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxamide has a molecular weight of 3066.62 g/mol, XLogP of 28.43, 32 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-6-(3-cyano-1-cyclohexyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;6-(5-chloro-3-cyano-1-pyrimidin-2-ylindol-2-yl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;N-[[6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)-3-pyridinyl]sulfonyl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]acetamide;1-cyclobutyl-5-fluoro-6-hydroxy-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxamide;1-cyclohexyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]pyrimidin-2-yl]indole-3-carboxamide is sourced from PubChem (CID 159181672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).