C159H118F24N30O10 — CID 163817647
N-[amino-[2-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methylidene]pyridine-2-carboxamide;N-[amino-[2-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methylidene]-2-(trifluoromethoxy)benzamide;N-(1-benzylindazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrazine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide (PubChem CID 163817647) has the molecular formula C159H118F24N30O10 and a molecular weight of 3064.84 g/mol. Its IUPAC name is N-[amino-[2-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methylidene]pyridine-2-carboxamide;N-[amino-[2-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methylidene]-2-(trifluoromethoxy)benzamide;N-(1-benzylindazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrazine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide.
| Compound Name | N-[amino-[2-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methylidene]pyridine-2-carboxamide;N-[amino-[2-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methylidene]-2-(trifluoromethoxy)benzamide;N-(1-benzylindazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrazine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide |
|---|---|
| PubChem CID | 163817647 |
| Molecular Formula | C159H118F24N30O10 |
| Molecular Weight | 3064.84 g/mol |
| Exact Mass | 3062.93 |
| IUPAC Name | N-[amino-[2-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methylidene]pyridine-2-carboxamide;N-[amino-[2-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]methylidene]-2-(trifluoromethoxy)benzamide;N-(1-benzylindazol-3-yl)furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrazine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide |
| SMILES | N/C(=N\C(=O)c1ccccc1OC(F)(F)F)c1ccccc1NCc1ccc(C(F)(F)F)cc1.N/C(=N\C(=O)c1ccccn1)c1ccccc1NCc1ccc(C(F)(F)F)cc1.Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccnc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnccn1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cncnc1.O=C(Nc1nn(Cc2ccccc2)c2ccccc12)c1ccoc1.O=C(Nc1nn(Cc2ccccc2C(F)(F)F)c2ccccc12)c1ccoc1 |
| InChI | InChI=1S/C23H17F6N3O2.C21H15F3N4O.C21H17F3N4O.2C20H14F3N5O.C20H14F3N3O2.C19H15N3O2.C15H12F3N3/c24-22(25,26)15-11-9-14(10-12-15)13-31-18-7-3-1-5-16(18)20(30)32-21(33)17-6-2-4-8-19(17)34-23(27,28)29;22-21(23,24)16-9-7-14(8-10-16)13-28-18-6-2-1-5-17(18)19(27-28)26-20(29)15-4-3-11-25-12-15;22-21(23,24)15-10-8-14(9-11-15)13-27-17-6-2-1-5-16(17)19(25)28-20(29)18-7-3-4-12-26-18;21-20(22,23)15-7-5-13(6-8-15)11-28-17-4-2-1-3-16(17)18(27-28)26-19(29)14-9-24-12-25-10-14;21-20(22,23)14-7-5-13(6-8-14)12-28-17-4-2-1-3-15(17)18(27-28)26-19(29)16-11-24-9-10-25-16;21-20(22,23)16-7-3-1-5-13(16)11-26-17-8-4-2-6-15(17)18(25-26)24-19(27)14-9-10-28-12-14;23-19(15-10-11-24-13-15)20-18-16-8-4-5-9-17(16)22(21-18)12-14-6-2-1-3-7-14;16-15(17,18)11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(19)20-21/h1-12,31H,13H2,(H2,30,32,33);1-12H,13H2,(H,26,27,29);1-12,27H,13H2,(H2,25,28,29);1-10,12H,11H2,(H,26,27,29);1-11H,12H2,(H,26,27,29);1-10,12H,11H2,(H,24,25,27);1-11,13H,12H2,(H,20,21,23);1-8H,9H2,(H2,19,20) |
| InChIKey | NSRUWGXGPGDGBQ-UHFFFAOYSA-N |
| XLogP | 35.63 |
| TPSA | 526.25 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 223 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3064.84 |
| LogP ≤ 5 | 35.63 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'} |
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