C121H97F9N20O12S2 — CID 160797271
4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide (PubChem CID 160797271) has the molecular formula C121H97F9N20O12S2 and a molecular weight of 2258.35 g/mol. Its IUPAC name is 4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide.
| Compound Name | 4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 160797271 |
| Molecular Formula | C121H97F9N20O12S2 |
| Molecular Weight | 2258.35 g/mol |
| Exact Mass | 2256.69 |
| IUPAC Name | 4-fluoro-3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;4-fluoro-3-(3-fluorophenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-6-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-indazole-5-carboxamide |
| SMILES | Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)NCCc1nccs1.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)N[C@@H]1CCOC1=O.Cc1cc2[nH]nc(-c3cccc(F)c3)c2cc1C(=O)N[C@H](CO)c1ccccc1.O=C(NCCc1nccs1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F.O=C(N[C@@H]1CCOC1=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F.O=C(N[C@H](CO)c1ccccc1)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1F |
| InChI | InChI=1S/C23H20FN3O2.C22H17F2N3O2.C20H17FN4OS.C19H14F2N4OS.C19H16FN3O3.C18H13F2N3O3/c1-14-10-20-19(22(27-26-20)16-8-5-9-17(24)11-16)12-18(14)23(29)25-21(13-28)15-6-3-2-4-7-15;23-15-8-4-7-14(11-15)21-19-17(26-27-21)10-9-16(20(19)24)22(29)25-18(12-28)13-5-2-1-3-6-13;1-12-9-17-16(19(25-24-17)13-3-2-4-14(21)10-13)11-15(12)20(26)23-6-5-18-22-7-8-27-18;20-12-3-1-2-11(10-12)18-16-14(24-25-18)5-4-13(17(16)21)19(26)23-7-6-15-22-8-9-27-15;1-10-7-16-14(17(23-22-16)11-3-2-4-12(20)8-11)9-13(10)18(24)21-15-5-6-26-19(15)25;19-10-3-1-2-9(8-10)16-14-12(22-23-16)5-4-11(15(14)20)17(24)21-13-6-7-26-18(13)25/h2-12,21,28H,13H2,1H3,(H,25,29)(H,26,27);1-11,18,28H,12H2,(H,25,29)(H,26,27);2-4,7-11H,5-6H2,1H3,(H,23,26)(H,24,25);1-5,8-10H,6-7H2,(H,23,26)(H,24,25);2-4,7-9,15H,5-6H2,1H3,(H,21,24)(H,22,23);1-5,8,13H,6-7H2,(H,21,24)(H,22,23)/t21-;18-;;;15-;13-/m11..11/s1 |
| InChIKey | SCPIDCBOKBXOEL-HOOPYHQHSA-N |
| XLogP | 21.43 |
| TPSA | 465.52 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2258.35 |
| LogP ≤ 5 | 21.43 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 22 |