2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
C135H142F15N23O20S11 — CID 159214315
Data last refreshed: (MolForge compound catalog, from PubChem)
About 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide
2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 159214315) has the molecular formula C135H142F15N23O20S11 and a molecular weight of 3044.47 g/mol. Its IUPAC name is 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 159214315 |
| Molecular Formula | C135H142F15N23O20S11 |
| Molecular Weight | 3044.47 g/mol |
| Exact Mass | 3041.75 |
| IUPAC Name | 2-[4-(tert-butylsulfonylamino)phenyl]-1-cyclobutyl-5-methylsulfanylpyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-5-methylsulfanyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclobutyl-5-methylsulfanyl-2-[5-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxylic acid;1-cyclobutyl-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide |
| SMILES | CC(C)(NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cccnc3n2C2CCC2)cc1)C(F)(F)F.CSc1cnc2c(c1)c(C(=O)O)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cc1)n2C1CCC1.CSc1cnc2c(c1)c(C(=O)O)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2C1CCC1.CSc1cnc2c(c1)c(C(N)=O)c(-c1ccc(NS(=O)(=O)C(C)(C)C)cc1)n2C1CCC1.CSc1cnc2c(c1)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC(C)(C)C(F)(F)F)cc1)n2C1CCC1.CSc1cnc2c(c1)c(C(N)=O)c(-c1ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cc1)n2C1CCC1 |
| InChI | InChI=1S/C23H23F3N4O3S2.C23H25F3N4O3S2.C23H22F3N3O4S2.C23H28N4O3S2.C22H23F3N4O3S.C21H21F3N4O4S2/c1-34-15-11-17-18(20(27)31)19(30(14-3-2-4-14)21(17)28-12-15)13-5-7-16(8-6-13)35(32,33)29-22(9-10-22)23(24,25)26;1-22(2,23(24,25)26)29-35(32,33)16-9-7-13(8-10-16)19-18(20(27)31)17-11-15(34-3)12-28-21(17)30(19)14-5-4-6-14;1-34-15-11-17-18(21(30)31)19(29(14-3-2-4-14)20(17)27-12-15)13-5-7-16(8-6-13)35(32,33)28-22(9-10-22)23(24,25)26;1-23(2,3)32(29,30)26-15-10-8-14(9-11-15)20-19(21(24)28)18-12-17(31-4)13-25-22(18)27(20)16-6-5-7-16;1-21(2,22(23,24)25)28-33(31,32)15-10-8-13(9-11-15)18-17(19(26)30)16-7-4-12-27-20(16)29(18)14-5-3-6-14;1-11(21(22,23)24)27-34(31,32)14-6-7-16(25-10-14)18-17(20(29)30)15-8-13(33-2)9-26-19(15)28(18)12-4-3-5-12/h5-8,11-12,14,29H,2-4,9-10H2,1H3,(H2,27,31);7-12,14,29H,4-6H2,1-3H3,(H2,27,31);5-8,11-12,14,28H,2-4,9-10H2,1H3,(H,30,31);8-13,16,26H,5-7H2,1-4H3,(H2,24,28);4,7-12,14,28H,3,5-6H2,1-2H3,(H2,26,30);6-12,27H,3-5H2,1-2H3,(H,29,30)/t;;;;;11-/m.....0/s1 |
| InChIKey | KQWKJBRTWUQXPB-MBXGFZHQSA-N |
| XLogP | 28.12 |
| TPSA | 643.79 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 204 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3044.47 |
| LogP ≤ 5 | 28.12 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 36 |
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