C159H165N17O6 — CID 161011476
2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide (PubChem CID 161011476) has the molecular formula C159H165N17O6 and a molecular weight of 2410.18 g/mol. Its IUPAC name is 2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide.
| Compound Name | 2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide |
|---|---|
| PubChem CID | 161011476 |
| Molecular Formula | C159H165N17O6 |
| Molecular Weight | 2410.18 g/mol |
| Exact Mass | 2408.31 |
| IUPAC Name | 2-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide;2-[3-[[4-(4-methylphenyl)pyrimidin-2-yl]methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;2-[3-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]phenyl]-1-[4-(piperidin-1-ylmethyl)phenyl]ethanone;4-methyl-3-[(4-phenylpyrimidin-2-yl)methyl]-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide |
| SMILES | COc1ccc(-c2ccnc(Cc3cccc(CC(=O)c4ccc(CN5CCCCC5)cc4)c3)n2)cc1.Cc1cc(-c2ccccc2)nc(Cc2cccc(CC(=O)c3ccc(CN4CCCCC4)cc3)c2)n1.Cc1ccc(-c2ccnc(Cc3cccc(CC(=O)c4ccc(CN5CCCCC5)cc4)c3)n2)cc1.Cc1ccc(C(=O)Nc2ccc(CCN3CCCC3)cc2)cc1Cc1nccc(-c2ccccc2)n1.Cc1cccc(-c2ccnc(Cc3cc(C(=O)Nc4ccc(CCN5CCCC5)cc4)ccc3C)n2)c1 |
| InChI | InChI=1S/C32H34N4O.C32H33N3O2.2C32H33N3O.C31H32N4O/c1-23-6-5-7-26(20-23)30-14-16-33-31(35-30)22-28-21-27(11-8-24(28)2)32(37)34-29-12-9-25(10-13-29)15-19-36-17-3-4-18-36;1-37-29-14-12-27(13-15-29)30-16-17-33-32(34-30)22-26-7-5-6-25(20-26)21-31(36)28-10-8-24(9-11-28)23-35-18-3-2-4-19-35;1-24-19-30(28-11-4-2-5-12-28)34-32(33-24)22-27-10-8-9-26(20-27)21-31(36)29-15-13-25(14-16-29)23-35-17-6-3-7-18-35;1-24-8-12-28(13-9-24)30-16-17-33-32(34-30)22-27-7-5-6-26(20-27)21-31(36)29-14-10-25(11-15-29)23-35-18-3-2-4-19-35;1-23-9-12-26(21-27(23)22-30-32-17-15-29(34-30)25-7-3-2-4-8-25)31(36)33-28-13-10-24(11-14-28)16-20-35-18-5-6-19-35/h5-14,16,20-21H,3-4,15,17-19,22H2,1-2H3,(H,34,37);5-17,20H,2-4,18-19,21-23H2,1H3;2,4-5,8-16,19-20H,3,6-7,17-18,21-23H2,1H3;5-17,20H,2-4,18-19,21-23H2,1H3;2-4,7-15,17,21H,5-6,16,18-20,22H2,1H3,(H,33,36) |
| InChIKey | TXEGAQGGOAGJAH-UHFFFAOYSA-N |
| XLogP | 31.24 |
| TPSA | 263.74 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 182 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2410.18 |
| LogP ≤ 5 | 31.24 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 21 |