N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate

C142H149F18N23O19S6 — CID 157328966

About N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate

N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate (PubChem CID 157328966) has the molecular formula C142H149F18N23O19S6 and a molecular weight of 3016.26 g/mol. Its IUPAC name is N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate.

Molecular Properties

• Compound Name: N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate
• PubChem CID: 157328966
• Molecular Formula: C142H149F18N23O19S6
• Molecular Weight: 3016.26 g/mol
• Exact Mass: 3013.94
• IUPAC Name: N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate
• SMILES: COC(=O)c1c(-c2ccc(S(=O)(=O)NC(C)(C)C(F)(F)F)cn2)n(C2CCCC2)c2cc(C)c(F)cc12.COC(=O)c1c(-c2ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn2)n(C2CCCC2)c2cc(C)c(F)cc12.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCCC1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCOCC1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCOCC1.Cc1cc2c(cc1F)c(C#N)c(-c1ncc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCOCC1
• InChI: InChI=1S/C25H27F4N3O4S.C24H25F4N3O4S.C24H27FN4O3S.C24H27FN4O2S.C23H22F4N4O3S.C22H21F4N5O3S/c1-14-11-20-17(12-18(14)26)21(23(33)36-4)22(32(20)15-7-5-6-8-15)19-10-9-16(13-30-19)37(34,35)31-24(2,3)25(27,28)29;1-13-10-20-17(11-18(13)25)21(23(32)35-3)22(31(20)15-6-4-5-7-15)19-9-8-16(12-29-19)36(33,34)30-14(2)24(26,27)28;1-15-11-22-18(12-20(15)25)19(13-26)23(29(22)16-7-9-32-10-8-16)21-6-5-17(14-27-21)33(30,31)28-24(2,3)4;1-15-11-22-18(12-20(15)25)19(13-26)23(29(22)16-7-5-6-8-16)21-10-9-17(14-27-21)32(30,31)28-24(2,3)4;1-13-9-21-17(10-19(13)24)18(11-28)22(31(21)15-5-7-34-8-6-15)20-4-3-16(12-29-20)35(32,33)30-14(2)23(25,26)27;1-12-7-19-16(8-18(12)23)17(9-27)20(31(19)14-3-5-34-6-4-14)21-28-10-15(11-29-21)35(32,33)30-13(2)22(24,25)26/h9-13,15,31H,5-8H2,1-4H3;8-12,14-15,30H,4-7H2,1-3H3;5-6,11-12,14,16,28H,7-10H2,1-4H3;9-12,14,16,28H,5-8H2,1-4H3;3-4,9-10,12,14-15,30H,5-8H2,1-2H3;7-8,10-11,13-14,30H,3-6H2,1-2H3/t;14-;;;14-;13-/m.0..00/s1
• InChIKey: BFBGLUMJPPUFMB-PXIDMSDSSA-N
• XLogP: 29.22
• TPSA: 572.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3016.26
LogP ≤ 5	29.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate?

The IUPAC name of N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate (CID 157328966) is N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate.

What is the SMILES notation for N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate?

The canonical SMILES for N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate is COC(=O)c1c(-c2ccc(S(=O)(=O)NC(C)(C)C(F)(F)F)cn2)n(C2CCCC2)c2cc(C)c(F)cc12.COC(=O)c1c(-c2ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn2)n(C2CCCC2)c2cc(C)c(F)cc12.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCCC1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)(C)C)cn1)n2C1CCOCC1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCOCC1.Cc1cc2c(cc1F)c(C#N)c(-c1ncc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCOCC1.

What is the InChIKey of N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate?

The InChIKey is BFBGLUMJPPUFMB-PXIDMSDSSA-N. The full InChI is InChI=1S/C25H27F4N3O4S.C24H25F4N3O4S.C24H27FN4O3S.C24H27FN4O2S.C23H22F4N4O3S.C22H21F4N5O3S/c1-14-11-20-17(12-18(14)26)21(23(33)36-4)22(32(20)15-7-5-6-8-15)19-10-9-16(13-30-19)37(34,35)31-24(2,3)25(27,28)29;1-13-10-20-17(11-18(13)25)21(23(32)35-3)22(31(20)15-6-4-5-7-15)19-9-8-16(12-29-19)36(33,34)30-14(2)24(26,27)28;1-15-11-22-18(12-20(15)25)19(13-26)23(29(22)16-7-9-32-10-8-16)21-6-5-17(14-27-21)33(30,31)28-24(2,3)4;1-15-11-22-18(12-20(15)25)19(13-26)23(29(22)16-7-5-6-8-16)21-10-9-17(14-27-21)32(30,31)28-24(2,3)4;1-13-9-21-17(10-19(13)24)18(11-28)22(31(21)15-5-7-34-8-6-15)20-4-3-16(12-29-20)35(32,33)30-14(2)23(25,26)27;1-12-7-19-16(8-18(12)23)17(9-27)20(31(19)14-3-5-34-6-4-14)21-28-10-15(11-29-21)35(32,33)30-13(2)22(24,25)26/h9-13,15,31H,5-8H2,1-4H3;8-12,14-15,30H,4-7H2,1-3H3;5-6,11-12,14,16,28H,7-10H2,1-4H3;9-12,14,16,28H,5-8H2,1-4H3;3-4,9-10,12,14-15,30H,5-8H2,1-2H3;7-8,10-11,13-14,30H,3-6H2,1-2H3/t;14-;;;14-;13-/m.0..00/s1.

What are the key properties of N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate?

N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate has a molecular weight of 3016.26 g/mol, XLogP of 29.22, 30 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-6-(3-cyano-1-cyclopentyl-5-fluoro-6-methylindol-2-yl)pyridine-3-sulfonamide;N-tert-butyl-6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;2-[3-cyano-5-fluoro-6-methyl-1-(oxan-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidine-5-sulfonamide;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]indole-3-carboxylate;methyl 1-cyclopentyl-5-fluoro-6-methyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]indole-3-carboxylate is sourced from PubChem (CID 157328966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).