C115H90F5N15O11S3 — CID 160656644
N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide;N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-3-methoxybenzamide;N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide (PubChem CID 160656644) has the molecular formula C115H90F5N15O11S3 and a molecular weight of 2049.27 g/mol. Its IUPAC name is N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide;N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-3-methoxybenzamide;N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide.
| Compound Name | N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide;N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-3-methoxybenzamide;N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide |
|---|---|
| PubChem CID | 160656644 |
| Molecular Formula | C115H90F5N15O11S3 |
| Molecular Weight | 2049.27 g/mol |
| Exact Mass | 2047.60 |
| IUPAC Name | N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-2-methoxybenzamide;N-[[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide;N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-3-methoxybenzamide;N-[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide |
| SMILES | COc1c(NS(C)(=O)=O)ccc2[nH]nc(-c3cccc(F)c3)c12.COc1cccc(C(=O)NCc2cc3c(-c4cc5ccccc5s4)n[nH]c3cc2F)c1.COc1cccc(C(=O)NCc2cc3c(-c4ccc5ccccc5c4)n[nH]c3cc2F)c1.COc1ccccc1C(=O)NCc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.COc1ccccc1C(=O)NCc1cc2c(-c3ccc4ccccc4c3)n[nH]c2cc1F |
| InChI | InChI=1S/2C26H20FN3O2.2C24H18FN3O2S.C15H14FN3O3S/c1-32-24-9-5-4-8-20(24)26(31)28-15-19-13-21-23(14-22(19)27)29-30-25(21)18-11-10-16-6-2-3-7-17(16)12-18;1-32-21-8-4-7-19(12-21)26(31)28-15-20-13-22-24(14-23(20)27)29-30-25(22)18-10-9-16-5-2-3-6-17(16)11-18;1-30-20-8-4-3-7-16(20)24(29)26-13-15-10-17-19(12-18(15)25)27-28-23(17)22-11-14-6-2-5-9-21(14)31-22;1-30-17-7-4-6-15(9-17)24(29)26-13-16-10-18-20(12-19(16)25)27-28-23(18)22-11-14-5-2-3-8-21(14)31-22;1-22-15-12(19-23(2,20)21)7-6-11-13(15)14(18-17-11)9-4-3-5-10(16)8-9/h2*2-14H,15H2,1H3,(H,28,31)(H,29,30);2*2-12H,13H2,1H3,(H,26,29)(H,27,28);3-8,19H,1-2H3,(H,17,18) |
| InChIKey | RLDDNVSJSGIPDZ-UHFFFAOYSA-N |
| XLogP | 24.72 |
| TPSA | 352.12 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 149 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2049.27 |
| LogP ≤ 5 | 24.72 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 18 |