C138H132N22O7S — CID 164964850
4-[4-(6-methyl-1H-indazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(7-methyl-1H-indazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide;6-methyl-N-[[1-[[4-(1-methylindazol-5-yl)phenyl]methyl]cyclopropyl]methyl]pyridine-3-carboxamide;5-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;4-[4-(2-oxo-1H-pyrimidin-5-yl)phenyl]-N-pyridin-3-ylbutanamide;N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide (PubChem CID 164964850) has the molecular formula C138H132N22O7S and a molecular weight of 2242.79 g/mol. Its IUPAC name is 4-[4-(6-methyl-1H-indazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(7-methyl-1H-indazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide;6-methyl-N-[[1-[[4-(1-methylindazol-5-yl)phenyl]methyl]cyclopropyl]methyl]pyridine-3-carboxamide;5-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;4-[4-(2-oxo-1H-pyrimidin-5-yl)phenyl]-N-pyridin-3-ylbutanamide;N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide.
| Compound Name | 4-[4-(6-methyl-1H-indazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(7-methyl-1H-indazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide;6-methyl-N-[[1-[[4-(1-methylindazol-5-yl)phenyl]methyl]cyclopropyl]methyl]pyridine-3-carboxamide;5-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;4-[4-(2-oxo-1H-pyrimidin-5-yl)phenyl]-N-pyridin-3-ylbutanamide;N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 164964850 |
| Molecular Formula | C138H132N22O7S |
| Molecular Weight | 2242.79 g/mol |
| Exact Mass | 2241.04 |
| IUPAC Name | 4-[4-(6-methyl-1H-indazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide;4-[4-(7-methyl-1H-indazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide;6-methyl-N-[[1-[[4-(1-methylindazol-5-yl)phenyl]methyl]cyclopropyl]methyl]pyridine-3-carboxamide;5-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]thiophene-2-carboxamide;4-[4-(2-oxo-1H-pyrimidin-5-yl)phenyl]-N-pyridin-3-ylbutanamide;N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide |
| SMILES | Cc1cc(-c2ccc(CCCC(=O)Nc3cccnc3)cc2)cc2cn[nH]c12.Cc1cc2[nH]ncc2cc1-c1ccc(CCCC(=O)Nc2cccnc2)cc1.Cc1ccc(C(=O)NCC2(Cc3ccc(-c4ccc5c(cnn5C)c4)cc3)CC2)cn1.Cc1ccc(C(=O)NCCCc2ccc(-c3ccc4c(cnn4C)c3)cc2)s1.O=C(CCCc1ccc(-c2cnc(=O)[nH]c2)cc1)Nc1cccnc1.O=C(NCCCc1ccc(-c2ccc3ncccc3c2)cc1)c1cccnc1 |
| InChI | InChI=1S/C26H26N4O.C24H21N3O.2C23H22N4O.C23H23N3OS.C19H18N4O2/c1-18-3-6-22(15-27-18)25(31)28-17-26(11-12-26)14-19-4-7-20(8-5-19)21-9-10-24-23(13-21)16-29-30(24)2;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;1-16-12-22-19(14-25-27-22)13-21(16)18-9-7-17(8-10-18)4-2-6-23(28)26-20-5-3-11-24-15-20;1-16-12-19(13-20-14-25-27-23(16)20)18-9-7-17(8-10-18)4-2-6-22(28)26-21-5-3-11-24-15-21;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;24-18(23-17-4-2-10-20-13-17)5-1-3-14-6-8-15(9-7-14)16-11-21-19(25)22-12-16/h3-10,13,15-16H,11-12,14,17H2,1-2H3,(H,28,31);2-3,5-14,16-17H,1,4,15H2,(H,27,28);2*3,5,7-15H,2,4,6H2,1H3,(H,25,27)(H,26,28);5-12,14-15H,3-4,13H2,1-2H3,(H,24,27);2,4,6-13H,1,3,5H2,(H,23,24)(H,21,22,25) |
| InChIKey | CIMYUBGKNMPOHH-UHFFFAOYSA-N |
| XLogP | 26.91 |
| TPSA | 390.69 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 168 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2242.79 |
| LogP ≤ 5 | 26.91 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|