C114H91F12N23O10 — CID 160650547
[4-[(3-aminoindazol-1-yl)methyl]phenyl]methanol;N-[1-[[4-(hydroxymethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-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 (PubChem CID 160650547) has the molecular formula C114H91F12N23O10 and a molecular weight of 2171.11 g/mol. Its IUPAC name is [4-[(3-aminoindazol-1-yl)methyl]phenyl]methanol;N-[1-[[4-(hydroxymethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-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.
| Compound Name | [4-[(3-aminoindazol-1-yl)methyl]phenyl]methanol;N-[1-[[4-(hydroxymethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-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 |
|---|---|
| PubChem CID | 160650547 |
| Molecular Formula | C114H91F12N23O10 |
| Molecular Weight | 2171.11 g/mol |
| Exact Mass | 2169.71 |
| IUPAC Name | [4-[(3-aminoindazol-1-yl)methyl]phenyl]methanol;N-[1-[[4-(hydroxymethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;4-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]-1,2-oxazole-5-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 |
| SMILES | Cc1cc[nH]c1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1cnoc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Nc1nn(Cc2ccc(CO)cc2)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(CO)cc2)c2ccccc12)c1ccoc1 |
| InChI | InChI=1S/C21H17F3N4O.C20H15F3N4O2.C20H17N3O3.C19H14F3N5O.C19H13F3N4O2.C15H15N3O/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;1-12-10-24-29-17(12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)11-13-6-8-14(9-7-13)20(21,22)23;24-12-15-7-5-14(6-8-15)11-23-18-4-2-1-3-17(18)19(22-23)21-20(25)16-9-10-26-13-16;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;16-15-13-3-1-2-4-14(13)18(17-15)9-11-5-7-12(10-19)8-6-11/h2-11,25H,12H2,1H3,(H,26,27,29);2-10H,11H2,1H3,(H,25,26,28);1-10,13,24H,11-12H2,(H,21,22,25);1-9,11H,10H2,(H,23,24)(H,25,26,28);1-10H,11H2,(H,24,25,27);1-8,19H,9-10H2,(H2,16,17) |
| InChIKey | RKIZDORLAUGMAJ-UHFFFAOYSA-N |
| XLogP | 23.65 |
| TPSA | 428.57 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2171.11 |
| LogP ≤ 5 | 23.65 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 26 |