C146H151Cl2F6N35O19 — CID 159007698
1-[4-[3-(4-chloro-3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chloro-2-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(2,5-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[3-(4-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 159007698) has the molecular formula C146H151Cl2F6N35O19 and a molecular weight of 2884.93 g/mol. Its IUPAC name is 1-[4-[3-(4-chloro-3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chloro-2-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(2,5-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[3-(4-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone.
| Compound Name | 1-[4-[3-(4-chloro-3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chloro-2-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(2,5-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[3-(4-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone |
|---|---|
| PubChem CID | 159007698 |
| Molecular Formula | C146H151Cl2F6N35O19 |
| Molecular Weight | 2884.93 g/mol |
| Exact Mass | 2882.12 |
| IUPAC Name | 1-[4-[3-(4-chloro-3-fluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3-chloro-2-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(2,5-difluorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;2-hydroxy-1-[4-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[3-(4-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone;2-hydroxy-1-[4-[4-pyrimidin-4-yl-3-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]piperidin-1-yl]ethanone |
| SMILES | COc1ccc(-c2n[nH]c(C3CCN(C(=O)CO)CC3)c2-c2ccncn2)cc1.COc1ccc(-c2n[nH]c(C3CCN(C(=O)CO)CC3)c2-c2ccncn2)cc1OC.COc1cccc(-c2n[nH]c(C3CCN(C(=O)CO)CC3)c2-c2ccncn2)c1.Cc1c(Cl)cccc1-c1n[nH]c(C2CCN(C(=O)CO)CC2)c1-c1ccncn1.O=C(CO)N1CCC(c2[nH]nc(-c3cc(F)ccc3F)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)c(F)c3)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3cccc(OC(F)(F)F)c3)c2-c2ccncn2)CC1 |
| InChI | InChI=1S/C22H25N5O4.C21H22ClN5O2.C21H20F3N5O3.2C21H23N5O3.C20H19ClFN5O2.C20H19F2N5O2/c1-30-17-4-3-15(11-18(17)31-2)22-20(16-5-8-23-13-24-16)21(25-26-22)14-6-9-27(10-7-14)19(29)12-28;1-13-15(3-2-4-16(13)22)21-19(17-5-8-23-12-24-17)20(25-26-21)14-6-9-27(10-7-14)18(29)11-28;22-21(23,24)32-15-3-1-2-14(10-15)20-18(16-4-7-25-12-26-16)19(27-28-20)13-5-8-29(9-6-13)17(31)11-30;1-29-16-4-2-14(3-5-16)20-19(17-6-9-22-13-23-17)21(25-24-20)15-7-10-26(11-8-15)18(28)12-27;1-29-16-4-2-3-15(11-16)21-19(17-5-8-22-13-23-17)20(24-25-21)14-6-9-26(10-7-14)18(28)12-27;21-14-2-1-13(9-15(14)22)20-18(16-3-6-23-11-24-16)19(25-26-20)12-4-7-27(8-5-12)17(29)10-28;21-13-1-2-15(22)14(9-13)20-18(16-3-6-23-11-24-16)19(25-26-20)12-4-7-27(8-5-12)17(29)10-28/h3-5,8,11,13-14,28H,6-7,9-10,12H2,1-2H3,(H,25,26);2-5,8,12,14,28H,6-7,9-11H2,1H3,(H,25,26);1-4,7,10,12-13,30H,5-6,8-9,11H2,(H,27,28);2-6,9,13,15,27H,7-8,10-12H2,1H3,(H,24,25);2-5,8,11,13-14,27H,6-7,9-10,12H2,1H3,(H,24,25);2*1-3,6,9,11-12,28H,4-5,7-8,10H2,(H,25,26) |
| InChIKey | JSCVUWGOIXFUMT-UHFFFAOYSA-N |
| XLogP | 18.59 |
| TPSA | 711.15 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 208 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2884.93 |
| LogP ≤ 5 | 18.59 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 40 |