C114H104F5N15O11S — CID 159652541
N-(1,3-dihydroxypropan-2-yl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide (PubChem CID 159652541) has the molecular formula C114H104F5N15O11S and a molecular weight of 1987.24 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide.
| Compound Name | N-(1,3-dihydroxypropan-2-yl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 159652541 |
| Molecular Formula | C114H104F5N15O11S |
| Molecular Weight | 1987.24 g/mol |
| Exact Mass | 1985.77 |
| IUPAC Name | N-(1,3-dihydroxypropan-2-yl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[[(2S)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide |
| SMILES | CC(C)C[C@@H](CO)NC(=O)c1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1.CSCC[C@@H](CO)NC(=O)c1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1.O=C(NC(CO)CO)c1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1.O=C(NC[C@@H]1CCCO1)c1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1.O=C(NC[C@H]1CCCO1)c1cc(F)c2n[nH]c(-c3ccc4ccccc4c3)c2c1 |
| InChI | InChI=1S/C24H24FN3O2.C23H22FN3O2S.2C23H20FN3O2.C21H18FN3O3/c1-14(2)9-19(13-29)26-24(30)18-11-20-22(27-28-23(20)21(25)12-18)17-8-7-15-5-3-4-6-16(15)10-17;1-30-9-8-18(13-28)25-23(29)17-11-19-21(26-27-22(19)20(24)12-17)16-7-6-14-4-2-3-5-15(14)10-16;2*24-20-12-17(23(28)25-13-18-6-3-9-29-18)11-19-21(26-27-22(19)20)16-8-7-14-4-1-2-5-15(14)10-16;22-18-9-15(21(28)23-16(10-26)11-27)8-17-19(24-25-20(17)18)14-6-5-12-3-1-2-4-13(12)7-14/h3-8,10-12,14,19,29H,9,13H2,1-2H3,(H,26,30)(H,27,28);2-7,10-12,18,28H,8-9,13H2,1H3,(H,25,29)(H,26,27);2*1-2,4-5,7-8,10-12,18H,3,6,9,13H2,(H,25,28)(H,26,27);1-9,16,26-27H,10-11H2,(H,23,28)(H,24,25)/t19-;3*18-;/m0010./s1 |
| InChIKey | MRTHZNQSQNRLBP-FKHRUBPVSA-N |
| XLogP | 20.49 |
| TPSA | 388.28 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1987.24 |
| LogP ≤ 5 | 20.49 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 17 |