C135H146Cl4F8N34O14 — CID 159253337
1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone (PubChem CID 159253337) has the molecular formula C135H146Cl4F8N34O14 and a molecular weight of 2762.67 g/mol. Its IUPAC name is 1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone.
| Compound Name | 1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone |
|---|---|
| PubChem CID | 159253337 |
| Molecular Formula | C135H146Cl4F8N34O14 |
| Molecular Weight | 2762.67 g/mol |
| Exact Mass | 2759.04 |
| IUPAC Name | 1-[4-[3-(4-chloro-2-hydroxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-(cyclopentylamino)pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethoxy]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-(4-chlorophenyl)-4-[2-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone;1-[4-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone |
| SMILES | CN(C)CCNc1nccc(-c2c(-c3ccc(Cl)cc3)n[nH]c2C2CCN(C(=O)CO)CC2)n1.CN(C)CCOc1nccc(-c2c(-c3ccc(Cl)cc3)n[nH]c2C2CCN(C(=O)CO)CC2)n1.O=C(CO)N1CCC(c2[nH]nc(-c3cc(C(F)(F)F)ccc3F)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3cc(F)cc(C(F)(F)F)c3)c2-c2ccncn2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccnc(NC3CCCC3)n2)CC1.O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3O)c2-c2ccncn2)CC1 |
| InChI | InChI=1S/C25H29ClN6O2.C24H30ClN7O2.C24H29ClN6O3.2C21H19F4N5O2.C20H20ClN5O3/c26-18-7-5-16(6-8-18)23-22(20-9-12-27-25(29-20)28-19-3-1-2-4-19)24(31-30-23)17-10-13-32(14-11-17)21(34)15-33;1-31(2)14-11-27-24-26-10-7-19(28-24)21-22(16-3-5-18(25)6-4-16)29-30-23(21)17-8-12-32(13-9-17)20(34)15-33;1-30(2)13-14-34-24-26-10-7-19(27-24)21-22(16-3-5-18(25)6-4-16)28-29-23(21)17-8-11-31(12-9-17)20(33)15-32;22-15-8-13(7-14(9-15)21(23,24)25)20-18(16-1-4-26-11-27-16)19(28-29-20)12-2-5-30(6-3-12)17(32)10-31;22-15-2-1-13(21(23,24)25)9-14(15)20-18(16-3-6-26-11-27-16)19(28-29-20)12-4-7-30(8-5-12)17(32)10-31;21-13-1-2-14(16(28)9-13)20-18(15-3-6-22-11-23-15)19(24-25-20)12-4-7-26(8-5-12)17(29)10-27/h5-9,12,17,19,33H,1-4,10-11,13-15H2,(H,30,31)(H,27,28,29);3-7,10,17,33H,8-9,11-15H2,1-2H3,(H,29,30)(H,26,27,28);3-7,10,17,32H,8-9,11-15H2,1-2H3,(H,28,29);1,4,7-9,11-12,31H,2-3,5-6,10H2,(H,28,29);1-3,6,9,11-12,31H,4-5,7-8,10H2,(H,28,29);1-3,6,9,11-12,27-28H,4-5,7-8,10H2,(H,24,25) |
| InChIKey | KVOPMKALODJCJL-UHFFFAOYSA-N |
| XLogP | 19.30 |
| TPSA | 630.00 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 195 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2762.67 |
| LogP ≤ 5 | 19.30 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 36 |