C123H108F4N16O10 — CID 159569294
N-[3-(4-tert-butylphenyl)-1H-indazol-5-yl]-1-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-2,2-dimethyl-N-(3-naphthalen-2-yl-1H-indazol-5-yl)propanamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide (PubChem CID 159569294) has the molecular formula C123H108F4N16O10 and a molecular weight of 2046.31 g/mol. Its IUPAC name is N-[3-(4-tert-butylphenyl)-1H-indazol-5-yl]-1-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-2,2-dimethyl-N-(3-naphthalen-2-yl-1H-indazol-5-yl)propanamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide.
| Compound Name | N-[3-(4-tert-butylphenyl)-1H-indazol-5-yl]-1-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-2,2-dimethyl-N-(3-naphthalen-2-yl-1H-indazol-5-yl)propanamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide |
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| PubChem CID | 159569294 |
| Molecular Formula | C123H108F4N16O10 |
| Molecular Weight | 2046.31 g/mol |
| Exact Mass | 2044.84 |
| IUPAC Name | N-[3-(4-tert-butylphenyl)-1H-indazol-5-yl]-1-phenylcyclopropane-1-carboxamide;4-(dimethylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-1H-indazol-5-yl]benzamide;N-[3-(3-fluoro-4-phenylphenyl)-1H-indazol-5-yl]-2-oxo-2-phenylacetamide;3-hydroxy-2,2-dimethyl-N-(3-naphthalen-2-yl-1H-indazol-5-yl)propanamide;3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide |
| SMILES | CC(C)(C)c1ccc(-c2n[nH]c3ccc(NC(=O)C4(c5ccccc5)CC4)cc23)cc1.CC(C)(CO)C(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.CC(C)(O)CC(=O)Nc1ccc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c2c1.CN(C)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccc(OC(F)(F)F)cc4)c3c2)cc1.O=C(Nc1ccc2[nH]nc(-c3ccc(-c4ccccc4)c(F)c3)c2c1)C(=O)c1ccccc1 |
| InChI | InChI=1S/C27H18FN3O2.C27H27N3O.C24H23N3O3.C23H19F3N4O2.C22H21N3O2/c28-23-15-19(11-13-21(23)17-7-3-1-4-8-17)25-22-16-20(12-14-24(22)30-31-25)29-27(33)26(32)18-9-5-2-6-10-18;1-26(2,3)19-11-9-18(10-12-19)24-22-17-21(13-14-23(22)29-30-24)28-25(31)27(15-16-27)20-7-5-4-6-8-20;1-24(2,29)15-22(28)25-17-10-13-21-20(14-17)23(27-26-21)16-8-11-19(12-9-16)30-18-6-4-3-5-7-18;1-30(2)17-8-3-15(4-9-17)22(31)27-16-7-12-20-19(13-16)21(29-28-20)14-5-10-18(11-6-14)32-23(24,25)26;1-22(2,13-26)21(27)23-17-9-10-19-18(12-17)20(25-24-19)16-8-7-14-5-3-4-6-15(14)11-16/h1-16H,(H,29,33)(H,30,31);4-14,17H,15-16H2,1-3H3,(H,28,31)(H,29,30);3-14,29H,15H2,1-2H3,(H,25,28)(H,26,27);3-13H,1-2H3,(H,27,31)(H,28,29);3-12,26H,13H2,1-2H3,(H,23,27)(H,24,25) |
| InChIKey | MHPMDZGAAHZMCL-UHFFFAOYSA-N |
| XLogP | 26.96 |
| TPSA | 368.13 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 153 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2046.31 |
| LogP ≤ 5 | 26.96 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
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