C111H94N16O13S — CID 158726615
N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide (PubChem CID 158726615) has the molecular formula C111H94N16O13S and a molecular weight of 1892.14 g/mol. Its IUPAC name is N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide.
| Compound Name | N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide |
|---|---|
| PubChem CID | 158726615 |
| Molecular Formula | C111H94N16O13S |
| Molecular Weight | 1892.14 g/mol |
| Exact Mass | 1890.69 |
| IUPAC Name | N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-(3,4-dimethoxyphenyl)acetamide;N-[3-(4-acetylphenyl)-1H-indazol-5-yl]-2-pyridin-2-ylacetamide;N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-hydroxy-2-phenylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methoxypropanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)-4-oxopentanamide |
| SMILES | CC(=O)CCC(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.CC(=O)c1ccc(-c2n[nH]c3ccc(NC(=O)Cc4ccccn4)cc23)cc1.COCCC(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1.COc1ccc(CC(=O)Nc2ccc3[nH]nc(-c4ccc(C(C)=O)cc4)c3c2)cc1OC.O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1)C(O)c1ccccc1 |
| InChI | InChI=1S/C25H23N3O4.C23H17N3O3.C22H18N4O2.C22H19N3O2.C19H17N3O2S/c1-15(29)17-5-7-18(8-6-17)25-20-14-19(9-10-21(20)27-28-25)26-24(30)13-16-4-11-22(31-2)23(12-16)32-3;27-22(14-6-2-1-3-7-14)23(28)24-16-10-11-18-17(13-16)21(26-25-18)20-12-15-8-4-5-9-19(15)29-20;1-14(27)15-5-7-16(8-6-15)22-19-12-18(9-10-20(19)25-26-22)24-21(28)13-17-4-2-3-11-23-17;1-14(26)6-11-21(27)23-18-9-10-20-19(13-18)22(25-24-20)17-8-7-15-4-2-3-5-16(15)12-17;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/h4-12,14H,13H2,1-3H3,(H,26,30)(H,27,28);1-13,22,27H,(H,24,28)(H,25,26);2-12H,13H2,1H3,(H,24,28)(H,25,26);2-5,7-10,12-13H,6,11H2,1H3,(H,23,27)(H,24,25);2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22) |
| InChIKey | IKORSTRWDDYVQW-UHFFFAOYSA-N |
| XLogP | 22.40 |
| TPSA | 414.06 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 141 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1892.14 |
| LogP ≤ 5 | 22.40 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 20 |