C126H98F11N23O12S3 — CID 158345857
N-(2,3-dihydroxypropyl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide;N-[3-(3-fluorophenyl)-1H-indazol-5-yl]methanesulfonamide;N-[3-(3-fluorophenyl)-1H-indazol-5-yl]pyridine-3-carboxamide;N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;2,2,2-trifluoro-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]ethanesulfonamide (PubChem CID 158345857) has the molecular formula C126H98F11N23O12S3 and a molecular weight of 2431.50 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide;N-[3-(3-fluorophenyl)-1H-indazol-5-yl]methanesulfonamide;N-[3-(3-fluorophenyl)-1H-indazol-5-yl]pyridine-3-carboxamide;N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;2,2,2-trifluoro-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]ethanesulfonamide.
| Compound Name | N-(2,3-dihydroxypropyl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide;N-[3-(3-fluorophenyl)-1H-indazol-5-yl]methanesulfonamide;N-[3-(3-fluorophenyl)-1H-indazol-5-yl]pyridine-3-carboxamide;N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;2,2,2-trifluoro-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]ethanesulfonamide |
|---|---|
| PubChem CID | 158345857 |
| Molecular Formula | C126H98F11N23O12S3 |
| Molecular Weight | 2431.50 g/mol |
| Exact Mass | 2429.68 |
| IUPAC Name | N-(2,3-dihydroxypropyl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide;3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1H-indazole-5-carboxamide;N-[3-(3-fluorophenyl)-1H-indazol-5-yl]methanesulfonamide;N-[3-(3-fluorophenyl)-1H-indazol-5-yl]pyridine-3-carboxamide;N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-pyridin-4-ylacetamide;N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;2,2,2-trifluoro-N-[3-(3-fluorophenyl)-1H-indazol-5-yl]ethanesulfonamide |
| SMILES | CS(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(Cc1cccs1)Nc1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(Cc1ccncc1)Nc1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NC(CO)c1ccccc1F)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(NCC(O)CO)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.O=C(Nc1ccc2[nH]nc(-c3cccc(F)c3)c2c1)c1cccnc1.O=S(=O)(CC(F)(F)F)Nc1ccc2[nH]nc(-c3cccc(F)c3)c2c1 |
| InChI | InChI=1S/C22H17F2N3O2.C20H15FN4O.C19H13FN4O.C19H14FN3OS.C17H16FN3O3.C15H11F4N3O2S.C14H12FN3O2S/c23-15-5-3-4-13(10-15)21-17-11-14(8-9-19(17)26-27-21)22(29)25-20(12-28)16-6-1-2-7-18(16)24;21-15-3-1-2-14(11-15)20-17-12-16(4-5-18(17)24-25-20)23-19(26)10-13-6-8-22-9-7-13;20-14-5-1-3-12(9-14)18-16-10-15(6-7-17(16)23-24-18)22-19(25)13-4-2-8-21-11-13;20-13-4-1-3-12(9-13)19-16-10-14(6-7-17(16)22-23-19)21-18(24)11-15-5-2-8-25-15;18-12-3-1-2-10(6-12)16-14-7-11(4-5-15(14)20-21-16)17(24)19-8-13(23)9-22;16-10-3-1-2-9(6-10)14-12-7-11(4-5-13(12)20-21-14)22-25(23,24)8-15(17,18)19;1-21(19,20)18-11-5-6-13-12(8-11)14(17-16-13)9-3-2-4-10(15)7-9/h1-11,20,28H,12H2,(H,25,29)(H,26,27);1-9,11-12H,10H2,(H,23,26)(H,24,25);1-11H,(H,22,25)(H,23,24);1-10H,11H2,(H,21,24)(H,22,23);1-7,13,22-23H,8-9H2,(H,19,24)(H,20,21);1-7,22H,8H2,(H,20,21);2-8,18H,1H3,(H,16,17) |
| InChIKey | GRSMPSHLIIPEJL-UHFFFAOYSA-N |
| XLogP | 24.41 |
| TPSA | 525.07 Ų |
| H-Bond Donors | 17 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 175 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2431.50 |
| LogP ≤ 5 | 24.41 |
| H-Bond Donors ≤ 5 | 17 |
| H-Bond Acceptors ≤ 10 | 22 |