C147H155N41O17 — CID 158757078
2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;5-tert-butyl-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-benzoxazole-7-carboxamide (PubChem CID 158757078) has the molecular formula C147H155N41O17 and a molecular weight of 2768.13 g/mol. Its IUPAC name is 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;5-tert-butyl-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-benzoxazole-7-carboxamide.
| Compound Name | 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;5-tert-butyl-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-benzoxazole-7-carboxamide |
|---|---|
| PubChem CID | 158757078 |
| Molecular Formula | C147H155N41O17 |
| Molecular Weight | 2768.13 g/mol |
| Exact Mass | 2766.25 |
| IUPAC Name | 2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]pyridine-3-carboxamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;5-tert-butyl-2-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,3-benzoxazole-7-carboxamide |
| SMILES | COc1cc2nc(-c3[nH]ncc3NC(=O)c3cc(C(C)(C)C)nn3-c3ccccc3)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3ccc4c(c3)CNCC4)[nH]c2cc1OC.COc1cc2nc(-c3[nH]ncc3NC(=O)c3cccnc3Nc3ccccc3)[nH]c2cc1OC.COc1ccc(C(C)(C)C)cc1C(=O)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1.Cc1cc(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)n(C(C)(C)C)n1.Cc1nc2cccc(C(=O)Nc3cn[nH]c3-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2o1 |
| InChI | InChI=1S/C27H32N6O3.C26H27N7O3.C24H30N8O2.C24H23N7O3.C24H21N7O3.C22H22N6O3/c1-27(2,3)18-6-8-23(35-4)19(14-18)26(34)31-22-15-28-32-24(22)25-29-20-7-5-17(13-21(20)30-25)16-33-9-11-36-12-10-33;1-26(2,3)22-13-19(33(32-22)15-9-7-6-8-10-15)25(34)30-18-14-27-31-23(18)24-28-16-11-20(35-4)21(36-5)12-17(16)29-24;1-15-11-20(32(30-15)24(2,3)4)23(33)28-19-13-25-29-21(19)22-26-17-6-5-16(12-18(17)27-22)14-31-7-9-34-10-8-31;1-14-26-18-4-2-3-16(22(18)34-14)24(32)29-20-12-25-30-21(20)23-27-17-6-5-15(11-19(17)28-23)13-31-7-9-33-10-8-31;1-33-19-11-16-17(12-20(19)34-2)29-23(28-16)21-18(13-26-31-21)30-24(32)15-9-6-10-25-22(15)27-14-7-4-3-5-8-14;1-30-18-8-15-16(9-19(18)31-2)26-21(25-15)20-17(11-24-28-20)27-22(29)13-4-3-12-5-6-23-10-14(12)7-13/h5-8,13-15H,9-12,16H2,1-4H3,(H,28,32)(H,29,30)(H,31,34);6-14H,1-5H3,(H,27,31)(H,28,29)(H,30,34);5-6,11-13H,7-10,14H2,1-4H3,(H,25,29)(H,26,27)(H,28,33);2-6,11-12H,7-10,13H2,1H3,(H,25,30)(H,27,28)(H,29,32);3-13H,1-2H3,(H,25,27)(H,26,31)(H,28,29)(H,30,32);3-4,7-9,11,23H,5-6,10H2,1-2H3,(H,24,28)(H,25,26)(H,27,29) |
| InChIKey | IOEYUKKAANVKNU-UHFFFAOYSA-N |
| XLogP | 23.06 |
| TPSA | 719.40 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 205 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2768.13 |
| LogP ≤ 5 | 23.06 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 40 |