2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
C142H135Cl2F18N27O16S8 — CID 159631968
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 159631968) has the molecular formula C142H135Cl2F18N27O16S8 and a molecular weight of 3145.22 g/mol. Its IUPAC name is 2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
Molecular Properties
| Compound Name | 2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide |
|---|---|
| PubChem CID | 159631968 |
| Molecular Formula | C142H135Cl2F18N27O16S8 |
| Molecular Weight | 3145.22 g/mol |
| Exact Mass | 3141.74 |
| IUPAC Name | 2-[2-(tert-butylsulfonylamino)pyrimidin-5-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxamide;2-[5-(tert-butylsulfonylamino)pyrimidin-2-yl]-1-cyclohexyl-6-ethyl-5-fluoroindole-3-carboxylic acid;1-(3-chlorophenyl)-6-ethyl-5-fluoro-2-[5-(1,1,1-trifluoropropan-2-ylsulfamoyl)-2-pyridinyl]indole-3-carboxamide;6-[1-(5-chlorothiophen-2-yl)-3-cyano-5-fluoro-6-methylindol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methyl-1H-pyrazol-4-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide;6-[3-cyano-5-fluoro-6-methyl-1-(5-methylthiophen-2-yl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide |
| SMILES | CCc1cc2c(cc1F)c(C(=O)O)c(-c1ncc(NS(=O)(=O)C(C)(C)C)cn1)n2C1CCCCC1.CCc1cc2c(cc1F)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1cccc(Cl)c1.CCc1cc2c(cc1F)c(C(N)=O)c(-c1cnc(NS(=O)(=O)C(C)(C)C)nc1)n2C1CCCCC1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(Cl)s1.Cc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1cn[nH]c1C.Cc1ccc(-n2c(-c3ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn3)c(C#N)c3cc(F)c(C)cc32)s1 |
| InChI | InChI=1S/C25H21ClF4N4O3S.C25H32FN5O3S.C25H31FN4O4S.C23H18F4N4O2S2.C22H15ClF4N4O2S2.C22H18F4N6O2S/c1-3-14-9-21-18(11-19(14)27)22(24(31)35)23(34(21)16-6-4-5-15(26)10-16)20-8-7-17(12-32-20)38(36,37)33-13(2)25(28,29)30;1-5-15-11-20-18(12-19(15)26)21(23(27)32)22(31(20)17-9-7-6-8-10-17)16-13-28-24(29-14-16)30-35(33,34)25(2,3)4;1-5-15-11-20-18(12-19(15)26)21(24(31)32)22(30(20)17-9-7-6-8-10-17)23-27-13-16(14-28-23)29-35(33,34)25(2,3)4;1-12-8-20-16(9-18(12)24)17(10-28)22(31(20)21-7-4-13(2)34-21)19-6-5-15(11-29-19)35(32,33)30-14(3)23(25,26)27;1-11-7-18-14(8-16(11)24)15(9-28)21(31(18)20-6-5-19(23)34-20)17-4-3-13(10-29-17)35(32,33)30-12(2)22(25,26)27;1-11-6-19-15(7-17(11)23)16(8-27)21(32(19)20-10-29-30-12(20)2)18-5-4-14(9-28-18)35(33,34)31-13(3)22(24,25)26/h4-13,33H,3H2,1-2H3,(H2,31,35);11-14,17H,5-10H2,1-4H3,(H2,27,32)(H,28,29,30);11-14,17,29H,5-10H2,1-4H3,(H,31,32);4-9,11,14,30H,1-3H3;3-8,10,12,30H,1-2H3;4-7,9-10,13,31H,1-3H3,(H,29,30)/t;;;14-;12-;13-/m...000/s1 |
| InChIKey | MPFWGFDFWWTTBH-GFIZMRGUSA-N |
| XLogP | 31.70 |
| TPSA | 633.25 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 213 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3145.22 |
| LogP ≤ 5 | 31.70 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 35 |
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