C110H93N15O13S2 — CID 159785365
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]-3-methoxypropanamide;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 (PubChem CID 159785365) has the molecular formula C110H93N15O13S2 and a molecular weight of 1897.18 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]-3-methoxypropanamide;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.
| 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]-3-methoxypropanamide;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 |
|---|---|
| PubChem CID | 159785365 |
| Molecular Formula | C110H93N15O13S2 |
| Molecular Weight | 1897.18 g/mol |
| Exact Mass | 1895.65 |
| 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]-3-methoxypropanamide;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 |
| SMILES | CC(=O)c1ccc(-c2n[nH]c3ccc(NC(=O)CCOc4ccccc4)cc23)cc1.CC(CO)(CO)C(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.COCCC(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1.O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1)C1CCOC1.O=C1CC(C(=O)Nc2ccc3[nH]nc(-c4cc5ccccc5o4)c3c2)c2ccccc21 |
| InChI | InChI=1S/C25H17N3O3.C24H21N3O3.C22H21N3O3.C20H17N3O2S.C19H17N3O2S/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;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;1-24-9-8-18(23)20-13-6-7-15-14(11-13)19(22-21-15)17-10-12-4-2-3-5-16(12)25-17/h1-12,18H,13H2,(H,26,30)(H,27,28);2-12,15H,13-14H2,1H3,(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);2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22) |
| InChIKey | NHWMYTCVOOQWDD-UHFFFAOYSA-N |
| XLogP | 22.28 |
| TPSA | 404.33 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 140 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1897.18 |
| LogP ≤ 5 | 22.28 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 20 |