C177H220F4N18O17 — CID 159277313
4,6-dimethyl-3-[3-[2-methyl-1-[1-(2-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;3-[3-[1-[1-[2-(1-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[1-methyl-2-(4-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(4-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-(2-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[1-methyl-3-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one (PubChem CID 159277313) has the molecular formula C177H220F4N18O17 and a molecular weight of 2947.81 g/mol. Its IUPAC name is 4,6-dimethyl-3-[3-[2-methyl-1-[1-(2-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;3-[3-[1-[1-[2-(1-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[1-methyl-2-(4-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(4-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-(2-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[1-methyl-3-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one.
| Compound Name | 4,6-dimethyl-3-[3-[2-methyl-1-[1-(2-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;3-[3-[1-[1-[2-(1-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[1-methyl-2-(4-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(4-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-(2-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[1-methyl-3-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one |
|---|---|
| PubChem CID | 159277313 |
| Molecular Formula | C177H220F4N18O17 |
| Molecular Weight | 2947.81 g/mol |
| Exact Mass | 2945.68 |
| IUPAC Name | 4,6-dimethyl-3-[3-[2-methyl-1-[1-(2-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;3-[3-[1-[1-[2-(1-fluoroethyl)piperidin-4-yl]ethyl]-2-methylindol-3-yl]-3-oxopropyl]-4-methoxy-6-methyl-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[1-methyl-2-(4-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[2-(4-methylphenyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-(2-methylpiperidin-4-yl)ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one;4-methoxy-6-methyl-3-[3-[2-methyl-1-[1-[1-methyl-3-(trifluoromethyl)piperidin-4-yl]ethyl]indol-3-yl]-3-oxopropyl]-1H-pyridin-2-one |
| SMILES | COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n(C(C)C2CCN(C)C(c3ccc(C)cc3)C2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n(C(C)C2CCN(C)CC2C(F)(F)F)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n(C(C)C2CCNC(C(C)F)C2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n(C(C)C2CCNC(C)C2)c2ccccc12.COc1cc(C)[nH]c(=O)c1CCC(=O)c1c(C)n(C(C)C2CCNC(c3ccc(C)cc3)C2)c2ccccc12.Cc1cc(C)c(CCC(=O)c2c(C)n(C(C)C3CCNC(C)C3)c3ccccc23)c(=O)[nH]1 |
| InChI | InChI=1S/C34H41N3O3.C33H39N3O3.C28H34F3N3O3.C28H36FN3O3.C27H35N3O3.C27H35N3O2/c1-21-11-13-25(14-12-21)30-20-26(17-18-36(30)5)23(3)37-24(4)33(27-9-7-8-10-29(27)37)31(38)16-15-28-32(40-6)19-22(2)35-34(28)39;1-20-10-12-24(13-11-20)28-19-25(16-17-34-28)22(3)36-23(4)32(26-8-6-7-9-29(26)36)30(37)15-14-27-31(39-5)18-21(2)35-33(27)38;1-16-14-25(37-5)21(27(36)32-16)10-11-24(35)26-18(3)34(23-9-7-6-8-20(23)26)17(2)19-12-13-33(4)15-22(19)28(29,30)31;1-16-14-26(35-5)22(28(34)31-16)10-11-25(33)27-19(4)32(24-9-7-6-8-21(24)27)18(3)20-12-13-30-23(15-20)17(2)29;1-16-14-20(12-13-28-16)18(3)30-19(4)26(21-8-6-7-9-23(21)30)24(31)11-10-22-25(33-5)15-17(2)29-27(22)32;1-16-14-18(3)29-27(32)22(16)10-11-25(31)26-20(5)30(24-9-7-6-8-23(24)26)19(4)21-12-13-28-17(2)15-21/h7-14,19,23,26,30H,15-18,20H2,1-6H3,(H,35,39);6-13,18,22,25,28,34H,14-17,19H2,1-5H3,(H,35,38);6-9,14,17,19,22H,10-13,15H2,1-5H3,(H,32,36);6-9,14,17-18,20,23,30H,10-13,15H2,1-5H3,(H,31,34);6-9,15-16,18,20,28H,10-14H2,1-5H3,(H,29,32);6-9,14,17,19,21,28H,10-13,15H2,1-5H3,(H,29,32) |
| InChIKey | KYMARLCYEMRYES-UHFFFAOYSA-N |
| XLogP | 33.36 |
| TPSA | 429.91 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 216 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2947.81 |
| LogP ≤ 5 | 33.36 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 29 |