C158H125F24N33O12S2 — CID 163864878
N-[amino-[2-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methylidene]-1H-imidazole-5-carboxamide;3-methyl-N-[2-[[4-(trifluoromethyl)phenyl]methylamino]benzenecarboximidoyl]furan-2-carboxamide;4-methyl-N-[2-[[4-(trifluoromethyl)phenyl]methylamino]benzenecarboximidoyl]-1,2-oxazole-5-carboxamide;5-methyl-N-[2-[[4-(trifluoromethyl)phenyl]methylamino]benzenecarboximidoyl]-1,3-oxazole-4-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrrole-2-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 163864878) has the molecular formula C158H125F24N33O12S2 and a molecular weight of 3198.04 g/mol. Its IUPAC name is N-[amino-[2-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methylidene]-1H-imidazole-5-carboxamide;3-methyl-N-[2-[[4-(trifluoromethyl)phenyl]methylamino]benzenecarboximidoyl]furan-2-carboxamide;4-methyl-N-[2-[[4-(trifluoromethyl)phenyl]methylamino]benzenecarboximidoyl]-1,2-oxazole-5-carboxamide;5-methyl-N-[2-[[4-(trifluoromethyl)phenyl]methylamino]benzenecarboximidoyl]-1,3-oxazole-4-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrrole-2-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide.
| Compound Name | N-[amino-[2-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methylidene]-1H-imidazole-5-carboxamide;3-methyl-N-[2-[[4-(trifluoromethyl)phenyl]methylamino]benzenecarboximidoyl]furan-2-carboxamide;4-methyl-N-[2-[[4-(trifluoromethyl)phenyl]methylamino]benzenecarboximidoyl]-1,2-oxazole-5-carboxamide;5-methyl-N-[2-[[4-(trifluoromethyl)phenyl]methylamino]benzenecarboximidoyl]-1,3-oxazole-4-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrrole-2-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide |
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| PubChem CID | 163864878 |
| Molecular Formula | C158H125F24N33O12S2 |
| Molecular Weight | 3198.04 g/mol |
| Exact Mass | 3195.92 |
| IUPAC Name | N-[amino-[2-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methylidene]-1H-imidazole-5-carboxamide;3-methyl-N-[2-[[4-(trifluoromethyl)phenyl]methylamino]benzenecarboximidoyl]furan-2-carboxamide;4-methyl-N-[2-[[4-(trifluoromethyl)phenyl]methylamino]benzenecarboximidoyl]-1,2-oxazole-5-carboxamide;5-methyl-N-[2-[[4-(trifluoromethyl)phenyl]methylamino]benzenecarboximidoyl]-1,3-oxazole-4-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrrole-2-carboxamide;5-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2,5-oxadiazole-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,3-thiazole-4-carboxamide |
| SMILES | Cc1cc[nH]c1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1scnc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.N/C(=N\C(=O)c1cnc[nH]1)c1ccccc1NCc1ccc(C(F)(F)F)cc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnon1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cscn1.[H]/N=C(\NC(=O)c1ncoc1C)c1ccccc1NCc1ccc(C(F)(F)F)cc1.[H]/N=C(\NC(=O)c1occc1C)c1ccccc1NCc1ccc(C(F)(F)F)cc1.[H]/N=C(\NC(=O)c1oncc1C)c1ccccc1NCc1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C21H17F3N4O.C21H18F3N3O2.2C20H17F3N4O2.C20H15F3N4OS.C19H16F3N5O.C19H13F3N4OS.C18H12F3N5O2/c1-13-10-11-25-18(13)20(29)26-19-16-4-2-3-5-17(16)28(27-19)12-14-6-8-15(9-7-14)21(22,23)24;1-13-10-11-29-18(13)20(28)27-19(25)16-4-2-3-5-17(16)26-12-14-6-8-15(9-7-14)21(22,23)24;1-12-17(26-11-29-12)19(28)27-18(24)15-4-2-3-5-16(15)25-10-13-6-8-14(9-7-13)20(21,22)23;1-12-10-26-29-17(12)19(28)27-18(24)15-4-2-3-5-16(15)25-11-13-6-8-14(9-7-13)20(21,22)23;1-12-17(24-11-29-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)10-13-6-8-14(9-7-13)20(21,22)23;20-19(21,22)13-7-5-12(6-8-13)9-25-15-4-2-1-3-14(15)17(23)27-18(28)16-10-24-11-26-16;20-19(21,22)13-7-5-12(6-8-13)9-26-16-4-2-1-3-14(16)17(25-26)24-18(27)15-10-28-11-23-15;19-18(20,21)12-7-5-11(6-8-12)10-26-15-4-2-1-3-13(15)16(24-26)23-17(27)14-9-22-28-25-14/h2-11,25H,12H2,1H3,(H,26,27,29);2-11,26H,12H2,1H3,(H2,25,27,28);2-9,11,25H,10H2,1H3,(H2,24,27,28);2-10,25H,11H2,1H3,(H2,24,27,28);2-9,11H,10H2,1H3,(H,25,26,28);1-8,10-11,25H,9H2,(H,24,26)(H2,23,27,28);1-8,10-11H,9H2,(H,24,25,27);1-9H,10H2,(H,23,24,27) |
| InChIKey | PFUCIQULIIJKNE-UHFFFAOYSA-N |
| XLogP | 35.96 |
| TPSA | 624.47 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 229 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3198.04 |
| LogP ≤ 5 | 35.96 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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