C203H206F8N22O29 — CID 157096597
ethyl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate (PubChem CID 157096597) has the molecular formula C203H206F8N22O29 and a molecular weight of 3569.99 g/mol. Its IUPAC name is ethyl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate.
| Compound Name | ethyl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate |
|---|---|
| PubChem CID | 157096597 |
| Molecular Formula | C203H206F8N22O29 |
| Molecular Weight | 3569.99 g/mol |
| Exact Mass | 3567.52 |
| IUPAC Name | ethyl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate |
| SMILES | CC(C)OC(=O)C(=O)c1ccc2[nH]cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1.CCOC(=O)C(=O)c1ccc2[nH]cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1.CN1CCN(C(=O)C(=O)c2ccc3[nH]cc(C(=O)N4CCC(Cc5ccc(F)cc5)CC4)c3c2)CC1.COC(=O)C(=O)c1ccc2[nH]cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1.NC(=O)C(=O)c1ccc2[nH]cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1.O=C(C(=O)N1CCNCC1)c1ccc2[nH]cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1.O=C(C(=O)N1CCOCC1)c1ccc2[nH]cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1.O=C(O)C(=O)c1ccc2[nH]cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c2c1 |
| InChI | InChI=1S/C28H31FN4O3.C27H29FN4O3.C27H28FN3O4.C26H27FN2O4.C25H25FN2O4.C24H23FN2O4.C23H22FN3O3.C23H21FN2O4/c1-31-12-14-33(15-13-31)28(36)26(34)21-4-7-25-23(17-21)24(18-30-25)27(35)32-10-8-20(9-11-32)16-19-2-5-22(29)6-3-19;28-21-4-1-18(2-5-21)15-19-7-11-31(12-8-19)26(34)23-17-30-24-6-3-20(16-22(23)24)25(33)27(35)32-13-9-29-10-14-32;28-21-4-1-18(2-5-21)15-19-7-9-30(10-8-19)26(33)23-17-29-24-6-3-20(16-22(23)24)25(32)27(34)31-11-13-35-14-12-31;1-16(2)33-26(32)24(30)19-5-8-23-21(14-19)22(15-28-23)25(31)29-11-9-18(10-12-29)13-17-3-6-20(27)7-4-17;1-2-32-25(31)23(29)18-5-8-22-20(14-18)21(15-27-22)24(30)28-11-9-17(10-12-28)13-16-3-6-19(26)7-4-16;1-31-24(30)22(28)17-4-7-21-19(13-17)20(14-26-21)23(29)27-10-8-16(9-11-27)12-15-2-5-18(25)6-3-15;24-17-4-1-14(2-5-17)11-15-7-9-27(10-8-15)23(30)19-13-26-20-6-3-16(12-18(19)20)21(28)22(25)29;24-17-4-1-14(2-5-17)11-15-7-9-26(10-8-15)22(28)19-13-25-20-6-3-16(12-18(19)20)21(27)23(29)30/h2-7,17-18,20,30H,8-16H2,1H3;1-6,16-17,19,29-30H,7-15H2;1-6,16-17,19,29H,7-15H2;3-8,14-16,18,28H,9-13H2,1-2H3;3-8,14-15,17,27H,2,9-13H2,1H3;2-7,13-14,16,26H,8-12H2,1H3;1-6,12-13,15,26H,7-11H2,(H2,25,29);1-6,12-13,15,25H,7-11H2,(H,29,30) |
| InChIKey | AFGZKHYTUUEZFR-UHFFFAOYSA-N |
| XLogP | 29.00 |
| TPSA | 670.08 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 262 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3569.99 |
| LogP ≤ 5 | 29.00 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 30 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
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