C339H334N56O21S9 — CID 161169954
1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;bis(2-methyl-N-[3-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide);2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide (PubChem CID 161169954) has the molecular formula C339H334N56O21S9 and a molecular weight of 5817.38 g/mol. Its IUPAC name is 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;bis(2-methyl-N-[3-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide);2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide.
| Compound Name | 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;bis(2-methyl-N-[3-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide);2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide |
|---|---|
| PubChem CID | 161169954 |
| Molecular Formula | C339H334N56O21S9 |
| Molecular Weight | 5817.38 g/mol |
| Exact Mass | 5812.43 |
| IUPAC Name | 1,4-dimethyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;1,4-dimethyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methylbenzamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-2-methyl-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1-methylbenzimidazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]benzamide;2-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(3-oxo-4H-1,4-benzoxazin-7-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;2-methyl-N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;bis(2-methyl-N-[3-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide);2-methyl-N-[3-[4-(2-oxo-1H-quinolin-6-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide;6-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]propyl]-1,3-thiazole-5-carboxamide |
| SMILES | Cc1cc(C(=O)NCCCc2ccc(-c3ccc4c(c3)ncn4C)cc2)n(C)c1.Cc1cc(C(=O)NCCCc2ccc(-c3cnc4[nH]ncc4c3)cc2)n(C)c1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4c(c3)ncn4C)cc2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3cnc4[nH]ncc4c3)cc2)cn1.Cc1ccccc1C(=O)NCCCc1ccc(-c2cc(C)c3[nH]ncc3c2)cc1.Cc1ccccc1C(=O)NCCCc1ccc(-c2ccc3[nH]ncc3c2)cc1.Cc1ncc(C(=O)NCCCc2ccc(-c3cc(C)c4[nH]ncc4c3)cc2)s1.Cc1ncc(C(=O)NCCCc2ccc(-c3ccc4[nH]c(=O)ccc4c3)cc2)s1.Cc1ncc(C(=O)NCCCc2ccc(-c3ccc4[nH]ncc4c3)cc2)s1.Cc1ncc(C(=O)NCCCc2ccc(-c3ccc4c(c3)CC(=O)N4)cc2)s1.Cc1ncc(C(=O)NCCCc2ccc(-c3ccc4c(c3)CCC(=O)N4)cc2)s1.Cc1ncc(C(=O)NCCCc2ccc(-c3ccc4c(c3)CCC(=O)N4)cc2)s1.Cc1ncc(C(=O)NCCCc2ccc(-c3ccc4c(c3)OCC(=O)N4)cc2)s1.Cc1ncc(C(=O)NCCCc2ccc(-c3ccc4c(c3)ncn4C)cc2)s1.Cc1ncc(C(=O)NCCCc2ccc(-c3cnc4[nH]ncc4c3)cc2)s1 |
| InChI | InChI=1S/C25H25N3O.C24H26N4O.C24H24N4O.C24H23N3O.2C23H23N3O2S.C23H21N3O2S.C22H23N5O.C22H21N5O.2C22H22N4OS.C22H21N3O3S.C22H21N3O2S.C21H20N4OS.C20H19N5OS/c1-17-6-3-4-8-23(17)25(29)26-13-5-7-19-9-11-20(12-10-19)21-14-18(2)24-22(15-21)16-27-28-24;1-17-13-23(27(2)15-17)24(29)25-12-4-5-18-6-8-19(9-7-18)20-10-11-22-21(14-20)26-16-28(22)3;1-17-5-8-21(15-26-17)24(29)25-13-3-4-18-6-9-19(10-7-18)20-11-12-23-22(14-20)27-16-28(23)2;1-17-5-2-3-7-22(17)24(28)25-14-4-6-18-8-10-19(11-9-18)20-12-13-23-21(15-20)16-26-27-23;3*1-15-25-14-21(29-15)23(28)24-12-2-3-16-4-6-17(7-5-16)18-8-10-20-19(13-18)9-11-22(27)26-20;1-15-10-20(27(2)14-15)22(28)23-9-3-4-16-5-7-17(8-6-16)18-11-19-13-25-26-21(19)24-12-18;1-15-4-7-18(12-24-15)22(28)23-10-2-3-16-5-8-17(9-6-16)19-11-20-14-26-27-21(20)25-13-19;1-15-24-13-21(28-15)22(27)23-11-3-4-16-5-7-17(8-6-16)18-9-10-20-19(12-18)25-14-26(20)2;1-14-10-18(11-19-12-25-26-21(14)19)17-7-5-16(6-8-17)4-3-9-23-22(27)20-13-24-15(2)28-20;1-14-24-12-20(29-14)22(27)23-10-2-3-15-4-6-16(7-5-15)17-8-9-18-19(11-17)28-13-21(26)25-18;1-14-24-13-20(28-14)22(27)23-10-2-3-15-4-6-16(7-5-15)17-8-9-19-18(11-17)12-21(26)25-19;1-14-23-13-20(27-14)21(26)22-10-2-3-15-4-6-16(7-5-15)17-8-9-19-18(11-17)12-24-25-19;1-13-22-12-18(27-13)20(26)21-8-2-3-14-4-6-15(7-5-14)16-9-17-11-24-25-19(17)23-10-16/h3-4,6,8-12,14-16H,5,7,13H2,1-2H3,(H,26,29)(H,27,28);6-11,13-16H,4-5,12H2,1-3H3,(H,25,29);5-12,14-16H,3-4,13H2,1-2H3,(H,25,29);2-3,5,7-13,15-16H,4,6,14H2,1H3,(H,25,28)(H,26,27);2*4-8,10,13-14H,2-3,9,11-12H2,1H3,(H,24,28)(H,26,27);4-11,13-14H,2-3,12H2,1H3,(H,24,28)(H,26,27);5-8,10-14H,3-4,9H2,1-2H3,(H,23,28)(H,24,25,26);4-9,11-14H,2-3,10H2,1H3,(H,23,28)(H,25,26,27);5-10,12-14H,3-4,11H2,1-2H3,(H,23,27);5-8,10-13H,3-4,9H2,1-2H3,(H,23,27)(H,25,26);4-9,11-12H,2-3,10,13H2,1H3,(H,23,27)(H,25,26);4-9,11,13H,2-3,10,12H2,1H3,(H,23,27)(H,25,26);4-9,11-13H,2-3,10H2,1H3,(H,22,26)(H,24,25);4-7,9-12H,2-3,8H2,1H3,(H,21,26)(H,23,24,25) |
| InChIKey | URAXGNMGQJEEGG-UHFFFAOYSA-N |
| XLogP | 63.98 |
| TPSA | 1039.53 Ų |
| H-Bond Donors | 27 |
| H-Bond Acceptors | 59 |
| Rotatable Bonds | 90 |
| Heavy Atoms | 425 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5817.38 |
| LogP ≤ 5 | 63.98 |
| H-Bond Donors ≤ 5 | 27 |
| H-Bond Acceptors ≤ 10 | 59 |