C166H183N25O3S — CID 159717339
2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine (PubChem CID 159717339) has the molecular formula C166H183N25O3S and a molecular weight of 2608.53 g/mol. Its IUPAC name is 2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine.
| Compound Name | 2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine |
|---|---|
| PubChem CID | 159717339 |
| Molecular Formula | C166H183N25O3S |
| Molecular Weight | 2608.53 g/mol |
| Exact Mass | 2606.47 |
| IUPAC Name | 2-[5-[1-[(2R)-2-methoxy-2-phenylethyl]piperidin-4-yl]-3-(4-methylphenyl)pyrazol-1-yl]pyrimidine;bis(2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyridine);2-[3-(4-methylphenyl)-5-[1-(2-phenylethyl)piperidin-4-yl]pyrazol-1-yl]pyrimidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(1-methylsulfonylpyrrolidin-3-yl)piperidine;4-[3-(4-methylphenyl)-1-phenylpyrazol-5-yl]-1-(2-phenylethyl)piperidine |
| SMILES | CO[C@@H](CN1CCC(c2cc(-c3ccc(C)cc3)nn2-c2ncccn2)CC1)c1ccccc1.Cc1ccc(-c2cc(C3CCN(C4CCN(S(C)(=O)=O)C4)CC3)n(-c3ccccc3)n2)cc1.Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ccccc3)n2)cc1.Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ccccn3)n2)cc1.Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ccccn3)n2)cc1.Cc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ncccn3)n2)cc1 |
| InChI | InChI=1S/C29H31N3.C28H31N5O.2C28H30N4.C27H29N5.C26H32N4O2S/c1-23-12-14-25(15-13-23)28-22-29(32(30-28)27-10-6-3-7-11-27)26-17-20-31(21-18-26)19-16-24-8-4-2-5-9-24;1-21-9-11-22(12-10-21)25-19-26(33(31-25)28-29-15-6-16-30-28)23-13-17-32(18-14-23)20-27(34-2)24-7-4-3-5-8-24;2*1-22-10-12-24(13-11-22)26-21-27(32(30-26)28-9-5-6-17-29-28)25-15-19-31(20-16-25)18-14-23-7-3-2-4-8-23;1-21-8-10-23(11-9-21)25-20-26(32(30-25)27-28-15-5-16-29-27)24-13-18-31(19-14-24)17-12-22-6-3-2-4-7-22;1-20-8-10-21(11-9-20)25-18-26(30(27-25)23-6-4-3-5-7-23)22-12-15-28(16-13-22)24-14-17-29(19-24)33(2,31)32/h2-15,22,26H,16-21H2,1H3;3-12,15-16,19,23,27H,13-14,17-18,20H2,1-2H3;2*2-13,17,21,25H,14-16,18-20H2,1H3;2-11,15-16,20,24H,12-14,17-19H2,1H3;3-11,18,22,24H,12-17,19H2,1-2H3/t;27-;;;;/m.0..../s1 |
| InChIKey | MZPFTUIKGDYCOP-ASVPMHMXSA-N |
| XLogP | 31.93 |
| TPSA | 250.31 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 195 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2608.53 |
| LogP ≤ 5 | 31.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |