C158H173F9N50O17 — CID 158248502
N-benzyl-1-[4-[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(2-methylpropyl)-1-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide (PubChem CID 158248502) has the molecular formula C158H173F9N50O17 and a molecular weight of 3215.44 g/mol. Its IUPAC name is N-benzyl-1-[4-[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(2-methylpropyl)-1-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide.
| Compound Name | N-benzyl-1-[4-[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(2-methylpropyl)-1-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide |
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| PubChem CID | 158248502 |
| Molecular Formula | C158H173F9N50O17 |
| Molecular Weight | 3215.44 g/mol |
| Exact Mass | 3213.41 |
| IUPAC Name | N-benzyl-1-[4-[6-(2-oxo-3-phenylpropyl)pyridazin-3-yl]butyl]triazole-4-carboxamide;N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;1-[4-[6-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide;N-methyl-1-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-(2-methylpropyl)-1-[4-[6-[(2-phenylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[(2-pyridin-2-ylacetyl)amino]pyridazin-3-yl]butyl]triazole-4-carboxamide;N-methyl-1-[4-[6-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]pyridazin-3-yl]butyl]triazole-4-carboxamide |
| SMILES | CC(C)CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)nn1.CC(F)(F)Oc1cccc(CNC(=O)c2cn(CCCCc3ccc(NC(=O)Cc4ccccn4)nn3)nn2)c1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(OC(F)(F)F)ccc3F)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cccc(OC(F)(F)F)c3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)nn1.CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3ccccn3)nn2)nn1.O=C(Cc1ccccc1)Cc1ccc(CCCCn2cc(C(=O)NCc3ccccc3)nn2)nn1 |
| InChI | InChI=1S/C27H28F2N8O3.C27H28N6O2.C23H29N7O2.C21H21F4N7O3.C21H22F3N7O3.C20H23N7O2.C19H22N8O2/c1-27(28,29)40-22-10-6-7-19(15-22)17-31-26(39)23-18-37(36-34-23)14-5-3-8-20-11-12-24(35-33-20)32-25(38)16-21-9-2-4-13-30-21;34-25(17-21-9-3-1-4-10-21)18-24-15-14-23(29-30-24)13-7-8-16-33-20-26(31-32-33)27(35)28-19-22-11-5-2-6-12-22;1-17(2)15-24-23(32)20-16-30(29-27-20)13-7-6-10-19-11-12-21(28-26-19)25-22(31)14-18-8-4-3-5-9-18;1-26-20(34)17-12-32(31-29-17)9-3-2-4-14-5-8-18(30-28-14)27-19(33)11-13-10-15(6-7-16(13)22)35-21(23,24)25;1-25-20(33)17-13-31(30-28-17)10-3-2-6-15-8-9-18(29-27-15)26-19(32)12-14-5-4-7-16(11-14)34-21(22,23)24;1-21-20(29)17-14-27(26-24-17)12-6-5-9-16-10-11-18(25-23-16)22-19(28)13-15-7-3-2-4-8-15;1-20-19(29)16-13-27(26-24-16)11-5-3-6-14-8-9-17(25-23-14)22-18(28)12-15-7-2-4-10-21-15/h2,4,6-7,9-13,15,18H,3,5,8,14,16-17H2,1H3,(H,31,39)(H,32,35,38);1-6,9-12,14-15,20H,7-8,13,16-19H2,(H,28,35);3-5,8-9,11-12,16-17H,6-7,10,13-15H2,1-2H3,(H,24,32)(H,25,28,31);5-8,10,12H,2-4,9,11H2,1H3,(H,26,34)(H,27,30,33);4-5,7-9,11,13H,2-3,6,10,12H2,1H3,(H,25,33)(H,26,29,32);2-4,7-8,10-11,14H,5-6,9,12-13H2,1H3,(H,21,29)(H,22,25,28);2,4,7-10,13H,3,5-6,11-12H2,1H3,(H,20,29)(H,22,25,28) |
| InChIKey | GGKQDDOCBWDMNO-UHFFFAOYSA-N |
| XLogP | 17.48 |
| TPSA | 844.27 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 54 |
| Rotatable Bonds | 74 |
| Heavy Atoms | 234 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3215.44 |
| LogP ≤ 5 | 17.48 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 54 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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