C136H148F10N18O14 — CID 167614039
[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (PubChem CID 167614039) has the molecular formula C136H148F10N18O14 and a molecular weight of 2448.77 g/mol. Its IUPAC name is [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide.
| Compound Name | [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide |
|---|---|
| PubChem CID | 167614039 |
| Molecular Formula | C136H148F10N18O14 |
| Molecular Weight | 2448.77 g/mol |
| Exact Mass | 2447.13 |
| IUPAC Name | [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide |
| SMILES | C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(N3CCOCC3)cn2)CC1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4cccc(OC(F)(F)F)c4)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(N4CCOCC4)cn3)CC2)cc1 |
| InChI | InChI=1S/C36H36F4N4O3.C35H34F4N4O4.C33H40FN5O3.C32H38FN5O4/c1-24(41-18-15-25-7-11-29(12-8-25)43(2)3)32-13-10-28(37)22-33(32)35(45)44-19-16-30(17-20-44)46-34-14-9-27(23-42-34)26-5-4-6-31(21-26)47-36(38,39)40;1-42(2)27-10-6-23(7-11-27)14-17-40-33(44)31-21-26(36)9-12-30(31)34(45)43-18-15-28(16-19-43)46-32-13-8-25(22-41-32)24-4-3-5-29(20-24)47-35(37,38)39;1-24(35-15-12-25-4-7-27(8-5-25)37(2)3)30-10-6-26(34)22-31(30)33(40)39-16-13-29(14-17-39)42-32-11-9-28(23-36-32)38-18-20-41-21-19-38;1-36(2)25-6-3-23(4-7-25)11-14-34-31(39)29-21-24(33)5-9-28(29)32(40)38-15-12-27(13-16-38)42-30-10-8-26(22-35-30)37-17-19-41-20-18-37/h4-14,21-23,30,41H,1,15-20H2,2-3H3;3-13,20-22,28H,14-19H2,1-2H3,(H,40,44);4-11,22-23,29,35H,1,12-21H2,2-3H3;3-10,21-22,27H,11-20H2,1-2H3,(H,34,39) |
| InChIKey | LMADMCUFGBILEN-UHFFFAOYSA-N |
| XLogP | 22.24 |
| TPSA | 308.34 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 178 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2448.77 |
| LogP ≤ 5 | 22.24 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'} |
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