C129H109ClF8N18O12 — CID 157143699
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3H-inden-1-yl)-1H-indazole-5-carboxamide (PubChem CID 157143699) has the molecular formula C129H109ClF8N18O12 and a molecular weight of 2290.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3H-inden-1-yl)-1H-indazole-5-carboxamide.
| Compound Name | N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3H-inden-1-yl)-1H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 157143699 |
| Molecular Formula | C129H109ClF8N18O12 |
| Molecular Weight | 2290.84 g/mol |
| Exact Mass | 2288.80 |
| IUPAC Name | N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-(2-hydroxypropyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-indazole-5-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-3-(3H-inden-1-yl)-1H-indazole-5-carboxamide |
| SMILES | CC(O)CNC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NC(CO)c1ccc(C(F)(F)F)cc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NC(CO)c1ccc(Cl)cc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NC1(CO)CCCC1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NCC(O)c1ccccc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(N[C@H](CO)c1ccccc1)c1ccc2[nH]nc(C3=CCc4ccccc43)c2c1 |
| InChI | InChI=1S/C25H21N3O2.C23H17F4N3O2.C22H17ClFN3O2.C22H18FN3O2.C20H20FN3O2.C17H16FN3O2/c29-15-23(17-7-2-1-3-8-17)26-25(30)18-11-13-22-21(14-18)24(28-27-22)20-12-10-16-6-4-5-9-19(16)20;24-17-3-1-2-14(10-17)21-18-11-15(6-9-19(18)29-30-21)22(32)28-20(12-31)13-4-7-16(8-5-13)23(25,26)27;23-16-7-4-13(5-8-16)20(12-28)25-22(29)15-6-9-19-18(11-15)21(27-26-19)14-2-1-3-17(24)10-14;23-17-8-4-7-15(11-17)21-18-12-16(9-10-19(18)25-26-21)22(28)24-13-20(27)14-5-2-1-3-6-14;21-15-5-3-4-13(10-15)18-16-11-14(6-7-17(16)23-24-18)19(26)22-20(12-25)8-1-2-9-20;1-10(22)9-19-17(23)12-5-6-15-14(8-12)16(21-20-15)11-3-2-4-13(18)7-11/h1-9,11-14,23,29H,10,15H2,(H,26,30)(H,27,28);1-11,20,31H,12H2,(H,28,32)(H,29,30);1-11,20,28H,12H2,(H,25,29)(H,26,27);1-12,20,27H,13H2,(H,24,28)(H,25,26);3-7,10-11,25H,1-2,8-9,12H2,(H,22,26)(H,23,24);2-8,10,22H,9H2,1H3,(H,19,23)(H,20,21)/t23-;;;;;/m1...../s1 |
| InChIKey | AKLYAHDCGIHHQP-LRBLJGQSSA-N |
| XLogP | 23.07 |
| TPSA | 468.06 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 168 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2290.84 |
| LogP ≤ 5 | 23.07 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 18 |