C135H135F7N24O14 — CID 158166491
[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-2-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-2-(1-methylpiperidin-4-yl)ethanone;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-2-(1-methylpyrazol-3-yl)ethanone;[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;N-[4-[5-(5-fluoro-2-hydroxyphenyl)-2H-pyrrol-3-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[5-(5-fluoro-2-hydroxyphenyl)-2H-pyrrol-3-yl]phenyl]-3-phenylpropanamide (PubChem CID 158166491) has the molecular formula C135H135F7N24O14 and a molecular weight of 2450.70 g/mol. Its IUPAC name is [3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-2-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-2-(1-methylpiperidin-4-yl)ethanone;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-2-(1-methylpyrazol-3-yl)ethanone;[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;N-[4-[5-(5-fluoro-2-hydroxyphenyl)-2H-pyrrol-3-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[5-(5-fluoro-2-hydroxyphenyl)-2H-pyrrol-3-yl]phenyl]-3-phenylpropanamide.
| Compound Name | [3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-2-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-2-(1-methylpiperidin-4-yl)ethanone;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-2-(1-methylpyrazol-3-yl)ethanone;[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;N-[4-[5-(5-fluoro-2-hydroxyphenyl)-2H-pyrrol-3-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[5-(5-fluoro-2-hydroxyphenyl)-2H-pyrrol-3-yl]phenyl]-3-phenylpropanamide |
|---|---|
| PubChem CID | 158166491 |
| Molecular Formula | C135H135F7N24O14 |
| Molecular Weight | 2450.70 g/mol |
| Exact Mass | 2449.05 |
| IUPAC Name | [3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-methyl-1,4-diazepan-1-yl)methanone;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-2-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-2-(1-methylpiperidin-4-yl)ethanone;1-[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-2-(1-methylpyrazol-3-yl)ethanone;[3-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;N-[4-[5-(5-fluoro-2-hydroxyphenyl)-2H-pyrrol-3-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[5-(5-fluoro-2-hydroxyphenyl)-2H-pyrrol-3-yl]phenyl]-3-phenylpropanamide |
| SMILES | CC(C)(C)C(=O)Nc1ccc(C2=CC(c3cc(F)ccc3O)=NC2)cc1.CN1CCC(CC(=O)c2cc(-c3cc(F)ccc3O)n[nH]2)CC1.CN1CCCN(C(=O)c2cc(-c3cc(F)ccc3O)n[nH]2)CC1.CN1CCN(c2cccc(CC(=O)c3cc(-c4cc(F)ccc4O)n[nH]3)c2)CC1.Cn1ccc(CC(=O)c2cc(-c3cc(F)ccc3O)n[nH]2)n1.O=C(CCc1ccccc1)Nc1ccc(C2=CC(c3cc(F)ccc3O)=NC2)cc1.O=C(c1cc(-c2cc(F)ccc2O)n[nH]1)N1CCN(c2ccccn2)CC1 |
| InChI | InChI=1S/C25H21FN2O2.C22H23FN4O2.C21H21FN2O2.C19H18FN5O2.C17H20FN3O2.C16H19FN4O2.C15H13FN4O2/c26-20-9-12-24(29)22(15-20)23-14-19(16-27-23)18-7-10-21(11-8-18)28-25(30)13-6-17-4-2-1-3-5-17;1-26-7-9-27(10-8-26)17-4-2-3-15(11-17)12-22(29)20-14-19(24-25-20)18-13-16(23)5-6-21(18)28;1-21(2,3)20(26)24-16-7-4-13(5-8-16)14-10-18(23-12-14)17-11-15(22)6-9-19(17)25;20-13-4-5-17(26)14(11-13)15-12-16(23-22-15)19(27)25-9-7-24(8-10-25)18-3-1-2-6-21-18;1-21-6-4-11(5-7-21)8-17(23)15-10-14(19-20-15)13-9-12(18)2-3-16(13)22;1-20-5-2-6-21(8-7-20)16(23)14-10-13(18-19-14)12-9-11(17)3-4-15(12)22;1-20-5-4-10(19-20)7-15(22)13-8-12(17-18-13)11-6-9(16)2-3-14(11)21/h1-5,7-12,14-15,29H,6,13,16H2,(H,28,30);2-6,11,13-14,28H,7-10,12H2,1H3,(H,24,25);4-11,25H,12H2,1-3H3,(H,24,26);1-6,11-12,26H,7-10H2,(H,22,23);2-3,9-11,22H,4-8H2,1H3,(H,19,20);3-4,9-10,22H,2,5-8H2,1H3,(H,18,19);2-6,8,21H,7H2,1H3,(H,17,18) |
| InChIKey | FWXDROVIZDQDTD-UHFFFAOYSA-N |
| XLogP | 21.38 |
| TPSA | 506.67 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 180 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2450.70 |
| LogP ≤ 5 | 21.38 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 29 |