C182H197BrCl2F7N57O19 — CID 157320968
1-[4-[6-[[2-(4-bromo-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(4-chloro-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[3-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide (PubChem CID 157320968) has the molecular formula C182H197BrCl2F7N57O19 and a molecular weight of 3770.75 g/mol. Its IUPAC name is 1-[4-[6-[[2-(4-bromo-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(4-chloro-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[3-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide.
| Compound Name | 1-[4-[6-[[2-(4-bromo-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(4-chloro-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[3-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide |
|---|---|
| PubChem CID | 157320968 |
| Molecular Formula | C182H197BrCl2F7N57O19 |
| Molecular Weight | 3770.75 g/mol |
| Exact Mass | 3766.46 |
| IUPAC Name | 1-[4-[6-[[2-(4-bromo-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[3-(3-chloro-2-fluorophenyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[[2-(4-chloro-2-pyridinyl)acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[6-[3-[3-(3,6-dihydro-2H-pyran-4-yl)phenyl]-2-oxopropyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[(3S)-2-oxo-3-phenylbutyl]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[4-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide |
| SMILES | CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cc(C4CC4)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(C4=CCOCC4)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)Cc3cccc(Cl)c3F)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(CC(=O)[C@@H](C)c3ccccc3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(-c4cccc(OC(F)(F)F)c4)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(Br)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(Cl)ccn3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cncc(-c4cccc(OC(F)(F)F)c4)c3)nn2)nn1 |
| InChI | InChI=1S/2C26H25F3N8O3.C26H30N6O3.C23H27N7O2.C22H26N6O2.C21H22ClFN6O2.C19H21BrN8O2.C19H21ClN8O2/c1-30-25(39)22-16-37(36-34-22)12-3-2-6-19-8-9-23(35-33-19)32-24(38)15-20-13-18(10-11-31-20)17-5-4-7-21(14-17)40-26(27,28)29;1-30-25(39)22-16-37(36-34-22)10-3-2-6-20-8-9-23(35-33-20)32-24(38)12-17-11-19(15-31-14-17)18-5-4-7-21(13-18)40-26(27,28)29;1-27-26(34)25-18-32(31-30-25)12-3-2-7-22-8-9-23(29-28-22)17-24(33)16-19-5-4-6-21(15-19)20-10-13-35-14-11-20;1-24-23(32)22-15-30(29-28-22)11-3-2-4-18-7-8-19(27-26-18)13-21(31)14-20-12-17(9-10-25-20)16-5-6-16;1-16(17-8-4-3-5-9-17)21(29)14-19-12-11-18(24-25-19)10-6-7-13-28-15-20(26-27-28)22(30)23-2;1-24-21(31)19-13-29(28-27-19)10-3-2-6-15-8-9-16(26-25-15)12-17(30)11-14-5-4-7-18(22)20(14)23;2*1-21-19(30)16-12-28(27-25-16)9-3-2-4-14-5-6-17(26-24-14)23-18(29)11-15-10-13(20)7-8-22-15/h4-5,7-11,13-14,16H,2-3,6,12,15H2,1H3,(H,30,39)(H,32,35,38);4-5,7-9,11,13-16H,2-3,6,10,12H2,1H3,(H,30,39)(H,32,35,38);4-6,8-10,15,18H,2-3,7,11-14,16-17H2,1H3,(H,27,34);7-10,12,15-16H,2-6,11,13-14H2,1H3,(H,24,32);3-5,8-9,11-12,15-16H,6-7,10,13-14H2,1-2H3,(H,23,30);4-5,7-9,13H,2-3,6,10-12H2,1H3,(H,24,31);2*5-8,10,12H,2-4,9,11H2,1H3,(H,21,30)(H,23,26,29)/t;;;;16-;;;/m....0.../s1 |
| InChIKey | BEDREVVRDANGHV-QDRKBRKPSA-N |
| XLogP | 20.30 |
| TPSA | 961.54 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 64 |
| Rotatable Bonds | 82 |
| Heavy Atoms | 268 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3770.75 |
| LogP ≤ 5 | 20.30 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 64 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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