C290H283N39O12S — CID 158758337
5-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;N-[2,2-dimethyl-3-[4-(1-methylindazol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;1,4-dimethyl-N-[3-(4-quinolin-6-ylphenyl)propyl]pyrrole-2-carboxamide;5-[4-(1-methylbenzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;5-[4-(6-methyl-1H-indazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;5-[4-(7-methyl-1H-indazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;2-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;6-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;5-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;5-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;1-pyridin-3-yl-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]pentan-2-one;N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide (PubChem CID 158758337) has the molecular formula C290H283N39O12S and a molecular weight of 4538.78 g/mol. Its IUPAC name is 5-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;N-[2,2-dimethyl-3-[4-(1-methylindazol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;1,4-dimethyl-N-[3-(4-quinolin-6-ylphenyl)propyl]pyrrole-2-carboxamide;5-[4-(1-methylbenzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;5-[4-(6-methyl-1H-indazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;5-[4-(7-methyl-1H-indazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;2-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;6-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;5-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;5-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;1-pyridin-3-yl-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]pentan-2-one;N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide.
| Compound Name | 5-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;N-[2,2-dimethyl-3-[4-(1-methylindazol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;1,4-dimethyl-N-[3-(4-quinolin-6-ylphenyl)propyl]pyrrole-2-carboxamide;5-[4-(1-methylbenzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;5-[4-(6-methyl-1H-indazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;5-[4-(7-methyl-1H-indazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;2-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;6-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;5-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;5-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;1-pyridin-3-yl-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]pentan-2-one;N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158758337 |
| Molecular Formula | C290H283N39O12S |
| Molecular Weight | 4538.78 g/mol |
| Exact Mass | 4535.25 |
| IUPAC Name | 5-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;N-[2,2-dimethyl-3-[4-(1-methylindazol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;1,4-dimethyl-N-[3-(4-quinolin-6-ylphenyl)propyl]pyrrole-2-carboxamide;5-[4-(1-methylbenzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;5-[4-(6-methyl-1H-indazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;5-[4-(7-methyl-1H-indazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;2-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;6-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;5-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;5-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one;1-pyridin-3-yl-5-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]pentan-2-one;N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide |
| SMILES | Cc1cc(-c2ccc(CCCC(=O)Cc3cccnc3)cc2)cc2cn[nH]c12.Cc1cc(C(=O)NCCCc2ccc(-c3ccc4ncccc4c3)cc2)n(C)c1.Cc1cc2[nH]ncc2cc1-c1ccc(CCCC(=O)Cc2cccnc2)cc1.Cc1ccc(C(=O)NCC(C)(C)Cc2ccc(-c3ccc4c(cnn4C)c3)cc2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4[nH]ncc4c3C)cc2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4c(cnn4C)c3)cc2)s1.Cc1nc2cc(-c3ccc(CCCC(=O)Cc4cccnc4)cc3)ccc2n1C.Cc1ncccc1C(=O)NCCCc1ccc(-c2ccc3c(cnn3C)c2)cc1.Cn1ccc2cc(-c3ccc(CCCC(=O)Cc4cccnc4)cc3)cnc21.Cn1cnc2cc(-c3ccc(CCCC(=O)Cc4cccnc4)cc3)ccc21.O=C(CCCc1ccc(-c2c[nH]c3ncccc23)cc1)Cc1cccnc1.O=C(NCCCc1ccc(-c2ccc3ncccc3c2)cc1)c1cccnc1 |
| InChI | InChI=1S/C26H28N4O.2C25H25N3O.2C24H24N4O.4C24H23N3O.C24H21N3O.C23H23N3OS.C23H21N3O/c1-18-5-8-22(15-27-18)25(31)28-17-26(2,3)14-19-6-9-20(10-7-19)21-11-12-24-23(13-21)16-29-30(24)4;1-18-15-24(28(2)17-18)25(29)27-14-3-5-19-7-9-20(10-8-19)21-11-12-23-22(16-21)6-4-13-26-23;1-18-27-24-16-22(12-13-25(24)28(18)2)21-10-8-19(9-11-21)5-3-7-23(29)15-20-6-4-14-26-17-20;1-17-22(6-4-13-25-17)24(29)26-14-3-5-18-7-9-19(10-8-18)20-11-12-23-21(15-20)16-27-28(23)2;1-16-5-8-20(14-26-16)24(29)25-13-3-4-18-6-9-19(10-7-18)21-11-12-23-22(17(21)2)15-27-28-23;1-27-17-26-23-15-21(11-12-24(23)27)20-9-7-18(8-10-20)4-2-6-22(28)14-19-5-3-13-25-16-19;1-27-13-11-21-15-22(17-26-24(21)27)20-9-7-18(8-10-20)4-2-6-23(28)14-19-5-3-12-25-16-19;1-17-12-24-21(16-26-27-24)14-23(17)20-9-7-18(8-10-20)4-2-6-22(28)13-19-5-3-11-25-15-19;1-17-12-21(14-22-16-26-27-24(17)22)20-9-7-18(8-10-20)4-2-6-23(28)13-19-5-3-11-25-15-19;28-24(22-6-2-13-25-17-22)27-15-1-4-18-7-9-19(10-8-18)20-11-12-23-21(16-20)5-3-14-26-23;1-16-5-12-22(28-16)23(27)24-13-3-4-17-6-8-18(9-7-17)19-10-11-21-20(14-19)15-25-26(21)2;27-20(14-18-5-2-12-24-15-18)6-1-4-17-8-10-19(11-9-17)22-16-26-23-21(22)7-3-13-25-23/h5-13,15-16H,14,17H2,1-4H3,(H,28,31);4,6-13,15-17H,3,5,14H2,1-2H3,(H,27,29);4,6,8-14,16-17H,3,5,7,15H2,1-2H3;4,6-13,15-16H,3,5,14H2,1-2H3,(H,26,29);5-12,14-15H,3-4,13H2,1-2H3,(H,25,29)(H,27,28);2*3,5,7-13,15-17H,2,4,6,14H2,1H3;2*3,5,7-12,14-16H,2,4,6,13H2,1H3,(H,26,27);2-3,5-14,16-17H,1,4,15H2,(H,27,28);5-12,14-15H,3-4,13H2,1-2H3,(H,24,27);2-3,5,7-13,15-16H,1,4,6,14H2,(H,25,26) |
| InChIKey | IOIWNBXPPJUCSJ-UHFFFAOYSA-N |
| XLogP | 57.91 |
| TPSA | 658.27 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 78 |
| Heavy Atoms | 342 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4538.78 |
| LogP ≤ 5 | 57.91 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 42 |