C172H133F16N37O10S — CID 158825405
1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide;N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide (PubChem CID 158825405) has the molecular formula C172H133F16N37O10S and a molecular weight of 3214.24 g/mol. Its IUPAC name is 1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide;N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide.
| Compound Name | 1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide;N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide |
|---|---|
| PubChem CID | 158825405 |
| Molecular Formula | C172H133F16N37O10S |
| Molecular Weight | 3214.24 g/mol |
| Exact Mass | 3212.05 |
| IUPAC Name | 1-benzyl-N-phenylindazole-3-carboxamide;1-benzyl-N-(1,3-thiazol-2-yl)indazole-3-carboxamide;N-[1-[(4-fluorophenyl)methyl]indazol-3-yl]pyridazine-3-carboxamide;1-[(4-methylphenyl)methyl]indazol-3-amine;N-[1-[(4-methylphenyl)methyl]indazol-3-yl]furan-3-carboxamide;3-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-pyrrole-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-carboxamide;N-[5-(trifluoromethyl)-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]pyridazine-3-carboxamide |
| SMILES | Cc1cc[nH]c1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1ccc(Cn2nc(N)c3ccccc32)cc1.Cc1ccc(Cn2nc(NC(=O)c3ccoc3)c3ccccc32)cc1.O=C(Nc1ccccc1)c1nn(Cc2ccccc2)c2ccccc12.O=C(Nc1nccs1)c1nn(Cc2ccccc2)c2ccccc12.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccno1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnc[nH]1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccc(C(F)(F)F)cc12)c1cccnn1.O=C(Nc1nn(Cc2ccc(F)cc2)c2ccccc12)c1cccnn1 |
| InChI | InChI=1S/C21H17F3N4O.C21H17N3O.C20H12F6N6O.C20H17N3O2.C19H14F3N5O.C19H13F3N4O2.C19H14FN5O.C18H14N4OS.C15H15N3/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;25-21(22-17-11-5-2-6-12-17)20-18-13-7-8-14-19(18)24(23-20)15-16-9-3-1-4-10-16;21-19(22,23)12-4-5-15-13(8-12)17(29-18(33)14-2-1-7-28-30-14)31-32(15)10-11-3-6-16(27-9-11)20(24,25)26;1-14-6-8-15(9-7-14)12-23-18-5-3-2-4-17(18)19(22-23)21-20(24)16-10-11-25-13-16;20-19(21,22)13-7-5-12(6-8-13)10-27-16-4-2-1-3-14(16)17(26-27)25-18(28)15-9-23-11-24-15;20-19(21,22)13-7-5-12(6-8-13)11-26-15-4-2-1-3-14(15)17(25-26)24-18(27)16-9-10-23-28-16;20-14-9-7-13(8-10-14)12-25-17-6-2-1-4-15(17)18(24-25)22-19(26)16-5-3-11-21-23-16;23-17(20-18-19-10-11-24-18)16-14-8-4-5-9-15(14)22(21-16)12-13-6-2-1-3-7-13;1-11-6-8-12(9-7-11)10-18-14-5-3-2-4-13(14)15(16)17-18/h2-11,25H,12H2,1H3,(H,26,27,29);1-14H,15H2,(H,22,25);1-9H,10H2,(H,29,31,33);2-11,13H,12H2,1H3,(H,21,22,24);1-9,11H,10H2,(H,23,24)(H,25,26,28);1-10H,11H2,(H,24,25,27);1-11H,12H2,(H,22,24,26);1-11H,12H2,(H,19,20,23);2-9H,10H2,1H3,(H2,16,17) |
| InChIKey | IWJWYTCCMXWSME-UHFFFAOYSA-N |
| XLogP | 36.58 |
| TPSA | 580.18 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 236 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3214.24 |
| LogP ≤ 5 | 36.58 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 38 |