C164H181Cl6N15O12 — CID 159517330
2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;2-pyrrolidin-1-ylethyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate (PubChem CID 159517330) has the molecular formula C164H181Cl6N15O12 and a molecular weight of 2767.06 g/mol. Its IUPAC name is 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;2-pyrrolidin-1-ylethyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate.
| Compound Name | 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;2-pyrrolidin-1-ylethyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate |
|---|---|
| PubChem CID | 159517330 |
| Molecular Formula | C164H181Cl6N15O12 |
| Molecular Weight | 2767.06 g/mol |
| Exact Mass | 2762.21 |
| IUPAC Name | 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]-1-(4-methylpiperidin-1-yl)ethanone;[3-chloro-4-[5-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-methylpiperidin-1-yl)methanone;cyclohexyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;(4-methylcyclohexyl) 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;propan-2-yl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate;2-pyrrolidin-1-ylethyl 2-[4-[5-(2-tert-butyl-4-pyridinyl)-3-pyridinyl]-3-chlorophenyl]acetate |
| SMILES | CC(C)(C)c1cc(-c2cncc(-c3ccc(CC(=O)OC4CCCCC4)cc3Cl)c2)ccn1.CC(C)(C)c1cc(-c2cncc(-c3ccc(CC(=O)OCCN4CCCC4)cc3Cl)c2)ccn1.CC(C)OC(=O)Cc1ccc(-c2cncc(-c3ccnc(C(C)(C)C)c3)c2)c(Cl)c1.CC1CCC(OC(=O)Cc2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)Cc2ccc(-c3cncc(-c4ccnc(C(C)(C)C)c4)c3)c(Cl)c2)CC1.CC1CCN(C(=O)c2ccc(-c3cncc(-c4ccnc(C5OCCO5)c4)c3)c(Cl)c2)CC1 |
| InChI | InChI=1S/C29H33ClN2O2.C28H32ClN3O2.C28H32ClN3O.C28H31ClN2O2.C26H26ClN3O3.C25H27ClN2O2/c1-19-5-8-24(9-6-19)34-28(33)14-20-7-10-25(26(30)13-20)23-15-22(17-31-18-23)21-11-12-32-27(16-21)29(2,3)4;1-28(2,3)26-17-21(8-9-31-26)22-16-23(19-30-18-22)24-7-6-20(14-25(24)29)15-27(33)34-13-12-32-10-4-5-11-32;1-19-8-11-32(12-9-19)27(33)14-20-5-6-24(25(29)13-20)23-15-22(17-30-18-23)21-7-10-31-26(16-21)28(2,3)4;1-28(2,3)26-16-20(11-12-31-26)21-15-22(18-30-17-21)24-10-9-19(13-25(24)29)14-27(32)33-23-7-5-4-6-8-23;1-17-5-8-30(9-6-17)25(31)19-2-3-22(23(27)13-19)21-12-20(15-28-16-21)18-4-7-29-24(14-18)26-32-10-11-33-26;1-16(2)30-24(29)11-17-6-7-21(22(26)10-17)20-12-19(14-27-15-20)18-8-9-28-23(13-18)25(3,4)5/h7,10-13,15-19,24H,5-6,8-9,14H2,1-4H3;6-9,14,16-19H,4-5,10-13,15H2,1-3H3;5-7,10,13,15-19H,8-9,11-12,14H2,1-4H3;9-13,15-18,23H,4-8,14H2,1-3H3;2-4,7,12-17,26H,5-6,8-11H2,1H3;6-10,12-16H,11H2,1-5H3 |
| InChIKey | MBJDLYXAMLGCLI-UHFFFAOYSA-N |
| XLogP | 38.75 |
| TPSA | 322.20 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 197 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2767.06 |
| LogP ≤ 5 | 38.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'} |
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