C206H301ClF2N32O34S8 — CID 167575197
5-chloro-1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;5-cyano-N-[(1-cyano-4-methylsulfonylcyclohexyl)methyl]-1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethylimidazole-4-carboxamide;N-[(1-cyano-4-methylsulfonylcyclohexyl)methyl]-1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxamide;1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;1-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-2-methylimidazole-4-carboxamide;1-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-2-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-5-methylimidazole-4-carboxamide;1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide (PubChem CID 167575197) has the molecular formula C206H301ClF2N32O34S8 and a molecular weight of 4099.85 g/mol. Its IUPAC name is 5-chloro-1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;5-cyano-N-[(1-cyano-4-methylsulfonylcyclohexyl)methyl]-1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethylimidazole-4-carboxamide;N-[(1-cyano-4-methylsulfonylcyclohexyl)methyl]-1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxamide;1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;1-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-2-methylimidazole-4-carboxamide;1-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-2-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-5-methylimidazole-4-carboxamide;1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide.
| Compound Name | 5-chloro-1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;5-cyano-N-[(1-cyano-4-methylsulfonylcyclohexyl)methyl]-1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethylimidazole-4-carboxamide;N-[(1-cyano-4-methylsulfonylcyclohexyl)methyl]-1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxamide;1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;1-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-2-methylimidazole-4-carboxamide;1-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-2-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-5-methylimidazole-4-carboxamide;1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide |
|---|---|
| PubChem CID | 167575197 |
| Molecular Formula | C206H301ClF2N32O34S8 |
| Molecular Weight | 4099.85 g/mol |
| Exact Mass | 4096.02 |
| IUPAC Name | 5-chloro-1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;5-cyano-N-[(1-cyano-4-methylsulfonylcyclohexyl)methyl]-1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethylimidazole-4-carboxamide;N-[(1-cyano-4-methylsulfonylcyclohexyl)methyl]-1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-5-methylimidazole-4-carboxamide;1-[2-(difluoromethoxy)-4-(2,2-dimethylpropyl)phenyl]-2-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;1-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-2-methylimidazole-4-carboxamide;1-[4-(2,2-dimethylpropyl)-2-methoxyphenyl]-2-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-5-methylimidazole-4-carboxamide;1-[5-(2,2-dimethylpropyl)-3-methoxy-2-pyridinyl]-2-ethyl-5-methyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide |
| SMILES | CCc1nc(C(=O)NCC2(C#N)CCC(S(C)(=O)=O)CC2)c(C#N)n1-c1ncc(CC(C)(C)C)cc1OC.CCc1nc(C(=O)NCC2(C#N)CCC(S(C)(=O)=O)CC2)c(C)n1-c1ncc(CC(C)(C)C)cc1OC.CCc1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(C)n1-c1ncc(CC(C)(C)C)cc1OC.CCc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(C)n1-c1ncc(CC(C)(C)C)cc1OC.CCc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)n1-c1ncc(CC(C)(C)C)cc1OC.COc1cc(CC(C)(C)C)ccc1-n1cc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)nc1C.COc1cc(CC(C)(C)C)ccc1-n1cc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)nc1C.Cc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)cn1-c1ccc(CC(C)(C)C)cc1OC(F)F |
| InChI | InChI=1S/C27H36N6O4S.C27H39N5O4S.C26H40N4O5S.C26H40N4O4S.C25H37ClN4O4S.C25H35F2N3O4S.C25H37N3O5S.C25H37N3O4S/c1-7-22-32-23(25(34)31-17-27(16-29)10-8-19(9-11-27)38(6,35)36)20(14-28)33(22)24-21(37-5)12-18(15-30-24)13-26(2,3)4;1-8-22-31-23(25(33)30-17-27(16-28)11-9-20(10-12-27)37(7,34)35)18(2)32(22)24-21(36-6)13-19(15-29-24)14-26(3,4)5;1-8-21-29-22(24(31)28-16-26(32)11-9-19(10-12-26)36(7,33)34)17(2)30(21)23-20(35-6)13-18(15-27-23)14-25(3,4)5;1-8-22-29-23(25(31)28-15-18-9-11-20(12-10-18)35(7,32)33)17(2)30(22)24-21(34-6)13-19(16-27-24)14-26(3,4)5;1-7-20-29-21(24(31)28-14-16-8-10-18(11-9-16)35(6,32)33)22(26)30(20)23-19(34-5)12-17(15-27-23)13-25(2,3)4;1-16-29-20(23(31)28-14-17-6-9-19(10-7-17)35(5,32)33)15-30(16)21-11-8-18(13-25(2,3)4)12-22(21)34-24(26)27;1-17-27-20(23(29)26-16-25(30)11-9-19(10-12-25)34(6,31)32)15-28(17)21-8-7-18(13-22(21)33-5)14-24(2,3)4;1-17-27-21(24(29)26-15-18-7-10-20(11-8-18)33(6,30)31)16-28(17)22-12-9-19(13-23(22)32-5)14-25(2,3)4/h12,15,19H,7-11,13,17H2,1-6H3,(H,31,34);13,15,20H,8-12,14,17H2,1-7H3,(H,30,33);13,15,19,32H,8-12,14,16H2,1-7H3,(H,28,31);13,16,18,20H,8-12,14-15H2,1-7H3,(H,28,31);12,15-16,18H,7-11,13-14H2,1-6H3,(H,28,31);8,11-12,15,17,19,24H,6-7,9-10,13-14H2,1-5H3,(H,28,31);7-8,13,15,19,30H,9-12,14,16H2,1-6H3,(H,26,29);9,12-13,16,18,20H,7-8,10-11,14-15H2,1-6H3,(H,26,29) |
| InChIKey | GKYLLSOPOZVEHF-UHFFFAOYSA-N |
| XLogP | 31.19 |
| TPSA | 898.60 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 58 |
| Rotatable Bonds | 62 |
| Heavy Atoms | 283 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4099.85 |
| LogP ≤ 5 | 31.19 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 58 |