C111H88F3N19O12S3 — CID 161220655
2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(furan-2-yl)-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide;N-(3-thiophen-2-yl-1H-indazol-5-yl)pyridine-2-carboxamide (PubChem CID 161220655) has the molecular formula C111H88F3N19O12S3 and a molecular weight of 2033.24 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(furan-2-yl)-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide;N-(3-thiophen-2-yl-1H-indazol-5-yl)pyridine-2-carboxamide.
| Compound Name | 2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(furan-2-yl)-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide;N-(3-thiophen-2-yl-1H-indazol-5-yl)pyridine-2-carboxamide |
|---|---|
| PubChem CID | 161220655 |
| Molecular Formula | C111H88F3N19O12S3 |
| Molecular Weight | 2033.24 g/mol |
| Exact Mass | 2031.60 |
| IUPAC Name | 2-(1,3-benzodioxol-5-yl)-N-[3-[2-(trifluoromethyl)phenyl]-1H-indazol-5-yl]acetamide;N-[3-(furan-2-yl)-1H-indazol-5-yl]-3-hydroxy-2-phenylpropanamide;2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)acetamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)methanesulfonamide;N-(3-thiophen-2-yl-1H-indazol-5-yl)pyridine-2-carboxamide |
| SMILES | CC(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.COCC(=O)Nc1ccc2[nH]nc(-c3ccsc3)c2c1.CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.O=C(Cc1ccc2c(c1)OCO2)Nc1ccc2[nH]nc(-c3ccccc3C(F)(F)F)c2c1.O=C(Nc1ccc2[nH]nc(-c3ccco3)c2c1)C(CO)c1ccccc1.O=C(Nc1ccc2[nH]nc(-c3cccs3)c2c1)c1ccccn1 |
| InChI | InChI=1S/C23H16F3N3O3.C20H17N3O3.C19H15N3O.C18H15N3O2S.C17H12N4OS.C14H13N3O2S/c24-23(25,26)17-4-2-1-3-15(17)22-16-11-14(6-7-18(16)28-29-22)27-21(30)10-13-5-8-19-20(9-13)32-12-31-19;24-12-16(13-5-2-1-3-6-13)20(25)21-14-8-9-17-15(11-14)19(23-22-17)18-7-4-10-26-18;1-12(23)20-16-8-9-18-17(11-16)19(22-21-18)15-7-6-13-4-2-3-5-14(13)10-15;1-24(22,23)21-15-8-9-17-16(11-15)18(20-19-17)14-7-6-12-4-2-3-5-13(12)10-14;22-17(14-4-1-2-8-18-14)19-11-6-7-13-12(10-11)16(21-20-13)15-5-3-9-23-15;1-19-7-13(18)15-10-2-3-12-11(6-10)14(17-16-12)9-4-5-20-8-9/h1-9,11H,10,12H2,(H,27,30)(H,28,29);1-11,16,24H,12H2,(H,21,25)(H,22,23);2-11H,1H3,(H,20,23)(H,21,22);2-11,21H,1H3,(H,19,20);1-10H,(H,19,22)(H,20,21);2-6,8H,7H2,1H3,(H,15,18)(H,16,17) |
| InChIKey | UXLNJZTVSPSCRA-UHFFFAOYSA-N |
| XLogP | 23.61 |
| TPSA | 437.70 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 148 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2033.24 |
| LogP ≤ 5 | 23.61 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 21 |