C105H74Cl2F15N17O7 — CID 159399072
2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[(2-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide;N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 159399072) has the molecular formula C105H74Cl2F15N17O7 and a molecular weight of 2041.73 g/mol. Its IUPAC name is 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[(2-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide;N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.
| Compound Name | 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[(2-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide;N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide |
|---|---|
| PubChem CID | 159399072 |
| Molecular Formula | C105H74Cl2F15N17O7 |
| Molecular Weight | 2041.73 g/mol |
| Exact Mass | 2039.51 |
| IUPAC Name | 2-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;4-chloro-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]benzamide;N-[1-[(2-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide;N-[6-(trifluoromethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide |
| SMILES | Cc1ccccc1Cn1nc(NC(=O)c2ccoc2)c2ccccc21.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2cc(C(F)(F)F)ccc12)c1ccoc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccc(Cl)cc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccc1Cl.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cncnc1 |
| InChI | InChI=1S/2C22H15ClF3N3O.C21H13F6N3O2.C20H14F3N5O.C20H17N3O2/c23-18-7-3-1-5-16(18)21(30)27-20-17-6-2-4-8-19(17)29(28-20)13-14-9-11-15(12-10-14)22(24,25)26;23-17-11-7-15(8-12-17)21(30)27-20-18-3-1-2-4-19(18)29(28-20)13-14-5-9-16(10-6-14)22(24,25)26;22-20(23,24)14-3-1-12(2-4-14)10-30-17-9-15(21(25,26)27)5-6-16(17)18(29-30)28-19(31)13-7-8-32-11-13;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;1-14-6-2-3-7-15(14)12-23-18-9-5-4-8-17(18)19(22-23)21-20(24)16-10-11-25-13-16/h2*1-12H,13H2,(H,27,28,30);1-9,11H,10H2,(H,28,29,31);1-10,12H,11H2,(H,26,27,29);2-11,13H,12H2,1H3,(H,21,22,24) |
| InChIKey | LNCMNGRONRZOQJ-UHFFFAOYSA-N |
| XLogP | 26.37 |
| TPSA | 286.66 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 146 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2041.73 |
| LogP ≤ 5 | 26.37 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 19 |