C105H112F7N27O6 — CID 167560269
N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 167560269) has the molecular formula C105H112F7N27O6 and a molecular weight of 1981.22 g/mol. Its IUPAC name is N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
| Compound Name | N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 167560269 |
| Molecular Formula | C105H112F7N27O6 |
| Molecular Weight | 1981.22 g/mol |
| Exact Mass | 1979.92 |
| IUPAC Name | N-(1-adamantyl)-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-(3-cyclohexyloxyphenyl)-6-fluoro-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide;N-[(2S)-3,3-difluorobutan-2-yl]-7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide;5-(2,3-dimethylimidazol-4-yl)-7-fluoro-N-(4-fluoro-4-methylcyclohexyl)-2H-indazole-3-carboxamide;6-fluoro-N-[3-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide |
| SMILES | CN1CCN(c2cccc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)c2)CC1.C[C@H](NC(=O)c1[nH]nc2c(F)cc(-c3cnn(C)c3)cc12)C(C)(F)F.Cc1ncc(-c2cc(F)c3n[nH]c(C(=O)NC4CCC(C)(F)CC4)c3c2)n1C.Cn1cc(-c2cc3c(C(=O)Nc4cccc(OC5CCCCC5)c4)n[nH]c3cc2F)cn1.Cn1cc(-c2ccc3[nH]nc(C(=O)NC45CC6CC(CC(C6)C4)C5)c3c2)cn1 |
| InChI | InChI=1S/C24H24FN5O2.C23H24FN7O.C22H25N5O.C20H23F2N5O.C16H16F3N5O/c1-30-14-15(13-26-30)19-11-20-22(12-21(19)25)28-29-23(20)24(31)27-16-6-5-9-18(10-16)32-17-7-3-2-4-8-17;1-29-6-8-31(9-7-29)17-5-3-4-16(10-17)26-23(32)22-19-11-18(15-13-25-30(2)14-15)20(24)12-21(19)27-28-22;1-27-12-17(11-23-27)16-2-3-19-18(7-16)20(26-25-19)21(28)24-22-8-13-4-14(9-22)6-15(5-13)10-22;1-11-23-10-16(27(11)3)12-8-14-17(15(21)9-12)25-26-18(14)19(28)24-13-4-6-20(2,22)7-5-13;1-8(16(2,18)19)21-15(25)14-11-4-9(10-6-20-24(3)7-10)5-12(17)13(11)22-23-14/h5-6,9-14,17H,2-4,7-8H2,1H3,(H,27,31)(H,28,29);3-5,10-14H,6-9H2,1-2H3,(H,26,32)(H,27,28);2-3,7,11-15H,4-6,8-10H2,1H3,(H,24,28)(H,25,26);8-10,13H,4-7H2,1-3H3,(H,24,28)(H,25,26);4-8H,1-3H3,(H,21,25)(H,22,23)/t;;;;8-/m....0/s1 |
| InChIKey | DOIFRJRBGUGVRR-JIJBQRLRSA-N |
| XLogP | 18.52 |
| TPSA | 393.71 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 145 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1981.22 |
| LogP ≤ 5 | 18.52 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 23 |