C115H97N15O13S — CID 157341591
N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-3-phenoxypropanamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]oxolane-3-carboxamide;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-(3-naphthalen-2-yl-1H-indazol-5-yl)propanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-2-(2-oxocyclopentyl)acetamide (PubChem CID 157341591) has the molecular formula C115H97N15O13S and a molecular weight of 1929.20 g/mol. Its IUPAC name is N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-3-phenoxypropanamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]oxolane-3-carboxamide;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-(3-naphthalen-2-yl-1H-indazol-5-yl)propanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-2-(2-oxocyclopentyl)acetamide.
| Compound Name | N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-3-phenoxypropanamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]oxolane-3-carboxamide;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-(3-naphthalen-2-yl-1H-indazol-5-yl)propanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-2-(2-oxocyclopentyl)acetamide |
|---|---|
| PubChem CID | 157341591 |
| Molecular Formula | C115H97N15O13S |
| Molecular Weight | 1929.20 g/mol |
| Exact Mass | 1927.71 |
| IUPAC Name | N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-3-phenoxypropanamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]oxolane-3-carboxamide;3-hydroxy-2-(hydroxymethyl)-2-methyl-N-(3-naphthalen-2-yl-1H-indazol-5-yl)propanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-2-(2-oxocyclopentyl)acetamide |
| SMILES | CC(=O)c1ccc(-c2n[nH]c3ccc(NC(=O)CCOc4ccccc4)cc23)cc1.CC(CO)(CO)C(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.O=C(CC1CCCC1=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1)C1CCOC1.O=C1CC(C(=O)Nc2ccc3[nH]nc(-c4cc5ccccc5o4)c3c2)c2ccccc21 |
| InChI | InChI=1S/C25H17N3O3.C24H21N3O3.C24H21N3O2.C22H21N3O3.C20H17N3O2S/c29-21-13-18(16-6-2-3-7-17(16)21)25(30)26-15-9-10-20-19(12-15)24(28-27-20)23-11-14-5-1-4-8-22(14)31-23;1-16(28)17-7-9-18(10-8-17)24-21-15-19(11-12-22(21)26-27-24)25-23(29)13-14-30-20-5-3-2-4-6-20;28-22-7-3-6-17(22)13-23(29)25-19-10-11-21-20(14-19)24(27-26-21)18-9-8-15-4-1-2-5-16(15)12-18;1-22(12-26,13-27)21(28)23-17-8-9-19-18(11-17)20(25-24-19)16-7-6-14-4-2-3-5-15(14)10-16;24-20(13-7-8-25-11-13)21-14-5-6-16-15(10-14)19(23-22-16)18-9-12-3-1-2-4-17(12)26-18/h1-12,18H,13H2,(H,26,30)(H,27,28);2-12,15H,13-14H2,1H3,(H,25,29)(H,26,27);1-2,4-5,8-12,14,17H,3,6-7,13H2,(H,25,29)(H,26,27);2-11,26-27H,12-13H2,1H3,(H,23,28)(H,24,25);1-6,9-10,13H,7-8,11H2,(H,21,24)(H,22,23) |
| InChIKey | BGLPUYBHMKGBPK-UHFFFAOYSA-N |
| XLogP | 22.94 |
| TPSA | 412.17 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 144 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1929.20 |
| LogP ≤ 5 | 22.94 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 19 |