C138H142Cl2N36O22S2 — CID 159713924
4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 159713924) has the molecular formula C138H142Cl2N36O22S2 and a molecular weight of 2791.92 g/mol. Its IUPAC name is 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide.
| Compound Name | 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide |
|---|---|
| PubChem CID | 159713924 |
| Molecular Formula | C138H142Cl2N36O22S2 |
| Molecular Weight | 2791.92 g/mol |
| Exact Mass | 2788.99 |
| IUPAC Name | 4-amino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclohexane-1-carboxamide;5-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxybenzamide;2-(4-chlorophenyl)sulfanyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-(4-chlorophenyl)sulfonyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]acetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methyl-4-(morpholin-4-ylmethyl)furan-2-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-3-phenyl-1,2-oxazole-5-carboxamide |
| SMILES | COc1cc2nc(-c3[nH]ncc3NC(=O)C3CCC(N)CC3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C(C)(C)C)ccc3OC)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(CN4CCOCC4)c(C)o3)[nH]c2cc1OC.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cc(-c2ccccc2)no1.O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1cccnc1Sc1ccc(Cl)cc1 |
| InChI | InChI=1S/C27H24ClN7O2S.C25H23N7O3.C24H27N5O4.C23H26N6O5.C20H18ClN5O5S.C19H24N6O3/c28-18-4-6-19(7-5-18)38-27-20(2-1-9-29-27)26(36)33-23-15-30-34-24(23)25-31-21-8-3-17(14-22(21)32-25)16-35-10-12-37-13-11-35;33-25(22-13-19(31-35-22)17-4-2-1-3-5-17)29-21-14-26-30-23(21)24-27-18-7-6-16(12-20(18)28-24)15-32-8-10-34-11-9-32;1-24(2,3)13-7-8-18(31-4)14(9-13)23(30)28-17-12-25-29-21(17)22-26-15-10-19(32-5)20(33-6)11-16(15)27-22;1-13-14(12-29-4-6-33-7-5-29)8-20(34-13)23(30)27-17-11-24-28-21(17)22-25-15-9-18(31-2)19(32-3)10-16(15)26-22;1-30-16-7-13-14(8-17(16)31-2)25-20(24-13)19-15(9-22-26-19)23-18(27)10-32(28,29)12-5-3-11(21)4-6-12;1-27-15-7-12-13(8-16(15)28-2)23-18(22-12)17-14(9-21-25-17)24-19(26)10-3-5-11(20)6-4-10/h1-9,14-15H,10-13,16H2,(H,30,34)(H,31,32)(H,33,36);1-7,12-14H,8-11,15H2,(H,26,30)(H,27,28)(H,29,33);7-12H,1-6H3,(H,25,29)(H,26,27)(H,28,30);8-11H,4-7,12H2,1-3H3,(H,24,28)(H,25,26)(H,27,30);3-9H,10H2,1-2H3,(H,22,26)(H,23,27)(H,24,25);7-11H,3-6,20H2,1-2H3,(H,21,25)(H,22,23)(H,24,26) |
| InChIKey | MZEMWTUGZQWEDZ-UHFFFAOYSA-N |
| XLogP | 21.88 |
| TPSA | 751.46 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 200 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2791.92 |
| LogP ≤ 5 | 21.88 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 41 |