C110H93FN16O11S6 — CID 158271076
N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-(dimethylamino)propanamide;N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide;N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]thiophene-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)methyl]-3-methoxybenzamide (PubChem CID 158271076) has the molecular formula C110H93FN16O11S6 and a molecular weight of 2026.45 g/mol. Its IUPAC name is N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-(dimethylamino)propanamide;N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide;N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]thiophene-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)methyl]-3-methoxybenzamide.
| Compound Name | N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-(dimethylamino)propanamide;N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide;N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]thiophene-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)methyl]-3-methoxybenzamide |
|---|---|
| PubChem CID | 158271076 |
| Molecular Formula | C110H93FN16O11S6 |
| Molecular Weight | 2026.45 g/mol |
| Exact Mass | 2024.55 |
| IUPAC Name | N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-(dimethylamino)propanamide;N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-3-methoxypropanamide;N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]thiophene-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]-2-thiophen-2-ylacetamide;N-[(7-fluoro-3-naphthalen-2-yl-2H-indazol-5-yl)methyl]-3-methoxybenzamide |
| SMILES | COCCC(=O)Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1OC.COc1c(NC(=O)CCN(C)C)ccc2[nH]nc(-c3cc4ccccc4s3)c12.COc1c(NC(=O)Cc2cccs2)ccc2[nH]nc(-c3cc4ccccc4s3)c12.COc1c(NC(=O)c2cccs2)ccc2[nH]nc(-c3cc4ccccc4s3)c12.COc1cccc(C(=O)NCc2cc(F)c3n[nH]c(-c4ccc5ccccc5c4)c3c2)c1 |
| InChI | InChI=1S/C26H20FN3O2.C22H17N3O2S2.C21H22N4O2S.C21H15N3O2S2.C20H19N3O3S/c1-32-21-8-4-7-20(14-21)26(31)28-15-16-11-22-24(29-30-25(22)23(27)12-16)19-10-9-17-5-2-3-6-18(17)13-19;1-27-22-16(23-19(26)12-14-6-4-10-28-14)9-8-15-20(22)21(25-24-15)18-11-13-5-2-3-7-17(13)29-18;1-25(2)11-10-18(26)22-15-9-8-14-19(21(15)27-3)20(24-23-14)17-12-13-6-4-5-7-16(13)28-17;1-26-20-14(22-21(25)16-7-4-10-27-16)9-8-13-18(20)19(24-23-13)17-11-12-5-2-3-6-15(12)28-17;1-25-10-9-17(24)21-14-8-7-13-18(20(14)26-2)19(23-22-13)16-11-12-5-3-4-6-15(12)27-16/h2-14H,15H2,1H3,(H,28,31)(H,29,30);2-11H,12H2,1H3,(H,23,26)(H,24,25);4-9,12H,10-11H2,1-3H3,(H,22,26)(H,23,24);2-11H,1H3,(H,22,25)(H,23,24);3-8,11H,9-10H2,1-2H3,(H,21,24)(H,22,23) |
| InChIKey | GJAPDUAFPQGUCP-UHFFFAOYSA-N |
| XLogP | 25.70 |
| TPSA | 347.52 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 144 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2026.45 |
| LogP ≤ 5 | 25.70 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 23 |