C133H107F8N21O14 — CID 159844467
3-cyano-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide;N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide;N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide (PubChem CID 159844467) has the molecular formula C133H107F8N21O14 and a molecular weight of 2375.44 g/mol. Its IUPAC name is 3-cyano-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide;N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide;N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide.
| Compound Name | 3-cyano-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide;N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide;N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 159844467 |
| Molecular Formula | C133H107F8N21O14 |
| Molecular Weight | 2375.44 g/mol |
| Exact Mass | 2373.82 |
| IUPAC Name | 3-cyano-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide;N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide;N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide |
| SMILES | COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1CNC(=O)c1cccc(C#N)c1.COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1CNC(=O)c1cccc(F)c1.COc1cc2[nH]nc(-c3cccc(F)c3)c2cc1CNC(=O)c1cccnc1.COc1cccc(C(=O)NCc2cc3c(-c4cccc(F)c4)n[nH]c3cc2F)c1.COc1cccc(C(=O)NCc2ccc3[nH]nc(-c4cccc(F)c4)c3c2OC)c1.COc1cncc(C(=O)NCc2cc3c(-c4cccc(F)c4)n[nH]c3cc2OC)c1 |
| InChI | InChI=1S/C23H17FN4O2.C23H20FN3O3.2C22H17F2N3O2.C22H19FN4O3.C21H17FN4O2/c1-30-21-11-20-19(22(28-27-20)15-5-3-7-18(24)9-15)10-17(21)13-26-23(29)16-6-2-4-14(8-16)12-25;1-29-18-8-4-6-15(12-18)23(28)25-13-16-9-10-19-20(22(16)30-2)21(27-26-19)14-5-3-7-17(24)11-14;1-29-20-11-19-18(21(27-26-19)13-4-2-6-16(23)8-13)10-15(20)12-25-22(28)14-5-3-7-17(24)9-14;1-29-17-7-3-5-14(9-17)22(28)25-12-15-10-18-20(11-19(15)24)26-27-21(18)13-4-2-6-16(23)8-13;1-29-17-7-15(10-24-12-17)22(28)25-11-14-8-18-19(9-20(14)30-2)26-27-21(18)13-4-3-5-16(23)6-13;1-28-19-10-18-17(20(26-25-18)13-4-2-6-16(22)8-13)9-15(19)12-24-21(27)14-5-3-7-23-11-14/h2-11H,13H2,1H3,(H,26,29)(H,27,28);3-12H,13H2,1-2H3,(H,25,28)(H,26,27);2*2-11H,12H2,1H3,(H,25,28)(H,26,27);3-10,12H,11H2,1-2H3,(H,25,28)(H,26,27);2-11H,12H2,1H3,(H,24,27)(H,25,26) |
| InChIKey | NPCSUIHKHJNYFB-UHFFFAOYSA-N |
| XLogP | 24.80 |
| TPSA | 470.09 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 176 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2375.44 |
| LogP ≤ 5 | 24.80 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 23 |