1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide
C123H125F27N22O15S5 — CID 157468159
Data last refreshed: (MolForge compound catalog, from PubChem)
About 1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide
1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 157468159) has the molecular formula C123H125F27N22O15S5 and a molecular weight of 2824.77 g/mol. Its IUPAC name is 1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide.
Molecular Properties
| Compound Name | 1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 157468159 |
| Molecular Formula | C123H125F27N22O15S5 |
| Molecular Weight | 2824.77 g/mol |
| Exact Mass | 2822.79 |
| IUPAC Name | 1-cyclohexyl-2-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[4-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]phenyl]pyrrolo[2,3-b]pyridine-3-carboxamide;1-cyclohexyl-5-(trifluoromethyl)-2-[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolo[2,3-b]pyridine-3-carboxamide |
| SMILES | CC(C)(NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCCCC2)cc1)C(F)(F)F.CC(C)(NS(=O)(=O)c1ccc(-c2c(C(N)=O)c3cc(C(F)(F)F)cnc3n2C2CCCCC2)nc1)C(F)(F)F.CC1(NS(=O)(=O)c2ccc(-c3c(C(N)=O)c4cc(C(F)(F)F)cnc4n3C3CCCCC3)cc2)CC1.NC(=O)c1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cc2)n(C2CCCCC2)c2ncc(C(F)(F)F)cc12.NC(=O)c1c(-c2ccc(S(=O)(=O)NC3(C(F)(F)F)CC3)cn2)n(C2CCCCC2)c2ncc(C(F)(F)F)cc12 |
| InChI | InChI=1S/C25H24F6N4O3S.C25H26F6N4O3S.C25H27F3N4O3S.C24H23F6N5O3S.C24H25F6N5O3S/c26-24(27,28)15-12-18-19(21(32)36)20(35(22(18)33-13-15)16-4-2-1-3-5-16)14-6-8-17(9-7-14)39(37,38)34-23(10-11-23)25(29,30)31;1-23(2,25(29,30)31)34-39(37,38)17-10-8-14(9-11-17)20-19(21(32)36)18-12-15(24(26,27)28)13-33-22(18)35(20)16-6-4-3-5-7-16;1-24(11-12-24)31-36(34,35)18-9-7-15(8-10-18)21-20(22(29)33)19-13-16(25(26,27)28)14-30-23(19)32(21)17-5-3-2-4-6-17;25-23(26,27)13-10-16-18(20(31)36)19(35(21(16)33-11-13)14-4-2-1-3-5-14)17-7-6-15(12-32-17)39(37,38)34-22(8-9-22)24(28,29)30;1-22(2,24(28,29)30)34-39(37,38)15-8-9-17(32-12-15)19-18(20(31)36)16-10-13(23(25,26)27)11-33-21(16)35(19)14-6-4-3-5-7-14/h6-9,12-13,16,34H,1-5,10-11H2,(H2,32,36);8-13,16,34H,3-7H2,1-2H3,(H2,32,36);7-10,13-14,17,31H,2-6,11-12H2,1H3,(H2,29,33);6-7,10-12,14,34H,1-5,8-9H2,(H2,31,36);8-12,14,34H,3-7H2,1-2H3,(H2,31,36) |
| InChIKey | BUSHOUQKLUCSQQ-UHFFFAOYSA-N |
| XLogP | 27.24 |
| TPSA | 561.18 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 192 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2824.77 |
| LogP ≤ 5 | 27.24 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 27 |
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Sources
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