C103H107FN20O7 — CID 160888285
3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 160888285) has the molecular formula C103H107FN20O7 and a molecular weight of 1756.12 g/mol. Its IUPAC name is 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone.
| Compound Name | 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone |
|---|---|
| PubChem CID | 160888285 |
| Molecular Formula | C103H107FN20O7 |
| Molecular Weight | 1756.12 g/mol |
| Exact Mass | 1754.86 |
| IUPAC Name | 3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone |
| SMILES | C=C(Nc1ccc(F)cc1)c1n[nH]c2ccc(C(=O)N3CCCCC3)cc12.C=C(Nc1ccc(OC)cc1)c1n[nH]c2ccc(C(=O)N3CCCCC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCCCC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)N3CCN(CCC)CC3)cc12.C=C(Nc1ccccc1)c1n[nH]c2ccc(C(=O)O)cc12 |
| InChI | InChI=1S/C23H27N5O.C22H24N4O2.C21H21FN4O.C21H22N4O.C16H13N3O2/c1-3-11-27-12-14-28(15-13-27)23(29)18-9-10-21-20(16-18)22(26-25-21)17(2)24-19-7-5-4-6-8-19;1-15(23-17-7-9-18(28-2)10-8-17)21-19-14-16(6-11-20(19)24-25-21)22(27)26-12-4-3-5-13-26;1-14(23-17-8-6-16(22)7-9-17)20-18-13-15(5-10-19(18)24-25-20)21(27)26-11-3-2-4-12-26;1-15(22-17-8-4-2-5-9-17)20-18-14-16(10-11-19(18)23-24-20)21(26)25-12-6-3-7-13-25;1-10(17-12-5-3-2-4-6-12)15-13-9-11(16(20)21)7-8-14(13)18-19-15/h4-10,16,24H,2-3,11-15H2,1H3,(H,25,26);6-11,14,23H,1,3-5,12-13H2,2H3,(H,24,25);5-10,13,23H,1-4,11-12H2,(H,24,25);2,4-5,8-11,14,22H,1,3,6-7,12-13H2,(H,23,24);2-9,17H,1H2,(H,18,19)(H,20,21) |
| InChIKey | SNXSLUQDFFYYSD-UHFFFAOYSA-N |
| XLogP | 20.12 |
| TPSA | 334.56 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 131 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1756.12 |
| LogP ≤ 5 | 20.12 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 17 |