C97H69F5N16O8S6 — CID 159554775
N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-3-methoxypropanamide;(2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide (PubChem CID 159554775) has the molecular formula C97H69F5N16O8S6 and a molecular weight of 1874.11 g/mol. Its IUPAC name is N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-3-methoxypropanamide;(2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide.
| Compound Name | N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-3-methoxypropanamide;(2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide |
|---|---|
| PubChem CID | 159554775 |
| Molecular Formula | C97H69F5N16O8S6 |
| Molecular Weight | 1874.11 g/mol |
| Exact Mass | 1872.37 |
| IUPAC Name | N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide;N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]furan-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-3-methoxypropanamide;(2R)-N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-5-oxopyrrolidine-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]-2-thiophen-2-ylacetamide |
| SMILES | CC(=O)Nc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.COCCC(=O)Nc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.O=C(Cc1cccs1)Nc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.O=C(Nc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F)c1ccco1.O=C1CC[C@H](C(=O)Nc2cc3c(-c4cc5ccccc5s4)n[nH]c3cc2F)N1 |
| InChI | InChI=1S/C21H14FN3OS2.C20H15FN4O2S.C20H12FN3O2S.C19H16FN3O2S.C17H12FN3OS/c22-15-11-16-14(10-17(15)23-20(26)9-13-5-3-7-27-13)21(25-24-16)19-8-12-4-1-2-6-18(12)28-19;21-12-9-14-11(8-15(12)23-20(27)13-5-6-18(26)22-13)19(25-24-14)17-7-10-3-1-2-4-16(10)28-17;21-13-10-14-12(9-15(13)22-20(25)16-5-3-7-26-16)19(24-23-14)18-8-11-4-1-2-6-17(11)27-18;1-25-7-6-18(24)21-15-9-12-14(10-13(15)20)22-23-19(12)17-8-11-4-2-3-5-16(11)26-17;1-9(22)19-14-7-11-13(8-12(14)18)20-21-17(11)16-6-10-4-2-3-5-15(10)23-16/h1-8,10-11H,9H2,(H,23,26)(H,24,25);1-4,7-9,13H,5-6H2,(H,22,26)(H,23,27)(H,24,25);1-10H,(H,22,25)(H,23,24);2-5,8-10H,6-7H2,1H3,(H,21,24)(H,22,23);2-8H,1H3,(H,19,22)(H,20,21)/t;13-;;;/m.1.../s1 |
| InChIKey | MFVPOSPQHYBUFN-QEANAVKHSA-N |
| XLogP | 24.16 |
| TPSA | 340.37 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 132 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1874.11 |
| LogP ≤ 5 | 24.16 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 19 |