C184H200Cl7FN20O6 — CID 158930173
3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]benzonitrile;[4-[3-(2-tert-butyl-4-pyridinyl)-5-(dimethylamino)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;bis(4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline);[3-chloro-4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 158930173) has the molecular formula C184H200Cl7FN20O6 and a molecular weight of 3054.93 g/mol. Its IUPAC name is 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]benzonitrile;[4-[3-(2-tert-butyl-4-pyridinyl)-5-(dimethylamino)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;bis(4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline);[3-chloro-4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone.
| Compound Name | 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]benzonitrile;[4-[3-(2-tert-butyl-4-pyridinyl)-5-(dimethylamino)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;bis(4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline);[3-chloro-4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone |
|---|---|
| PubChem CID | 158930173 |
| Molecular Formula | C184H200Cl7FN20O6 |
| Molecular Weight | 3054.93 g/mol |
| Exact Mass | 3049.38 |
| IUPAC Name | 3-(2-tert-butyl-4-pyridinyl)-5-[2-chloro-4-(4-methylpiperidine-1-carbonyl)phenyl]benzonitrile;[4-[3-(2-tert-butyl-4-pyridinyl)-5-(dimethylamino)phenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[3-(2-tert-butyl-4-pyridinyl)-5-fluorophenyl]-3-chlorophenyl]-(4-methylpiperidin-1-yl)methanone;[4-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-3-pyridinyl]-3-chlorophenyl]-(3-methylpiperidin-1-yl)methanone;bis(4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chloro-N-methylaniline);[3-chloro-4-[5-[2-(oxolan-3-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone |
| SMILES | CC1CCN(C(=O)c2ccc(-c3cc(-c4ccnc(C(C)(C)C)c4)cc(N(C)C)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cc(C#N)cc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cc(F)cc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5CCOC5)c4)c3)c(Cl)c2)CC1.CNc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CNc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.Cc1c(-c2ccnc(C(C)(C)C)c2)cncc1-c1ccc(C(=O)N2CCCC(C)C2)cc1Cl |
| InChI | InChI=1S/C30H36ClN3O.C29H30ClN3O.C28H30ClFN2O.C28H32ClN3O.C27H28ClN3O2.2C21H22ClN3/c1-20-10-13-34(14-11-20)29(35)22-7-8-26(27(31)18-22)24-15-23(16-25(17-24)33(5)6)21-9-12-32-28(19-21)30(2,3)4;1-19-8-11-33(12-9-19)28(34)22-5-6-25(26(30)16-22)24-14-20(18-31)13-23(15-24)21-7-10-32-27(17-21)29(2,3)4;1-18-8-11-32(12-9-18)27(33)20-5-6-24(25(29)16-20)22-13-21(14-23(30)15-22)19-7-10-31-26(17-19)28(2,3)4;1-18-7-6-12-32(17-18)27(33)21-8-9-22(25(29)13-21)24-16-30-15-23(19(24)2)20-10-11-31-26(14-20)28(3,4)5;1-18-5-9-31(10-6-18)27(32)20-2-3-24(25(28)13-20)23-12-22(15-29-16-23)19-4-8-30-26(14-19)21-7-11-33-17-21;2*1-21(2,3)20-10-14(7-8-25-20)15-9-16(13-24-12-15)18-6-5-17(23-4)11-19(18)22/h7-9,12,15-20H,10-11,13-14H2,1-6H3;5-7,10,13-17,19H,8-9,11-12H2,1-4H3;5-7,10,13-18H,8-9,11-12H2,1-4H3;8-11,13-16,18H,6-7,12,17H2,1-5H3;2-4,8,12-16,18,21H,5-7,9-11,17H2,1H3;2*5-13,23H,1-4H3 |
| InChIKey | JIYKWCKGZINGRO-UHFFFAOYSA-N |
| XLogP | 46.18 |
| TPSA | 303.66 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 218 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3054.93 |
| LogP ≤ 5 | 46.18 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 21 |