C206H221F10N27O24 — CID 167631813
(Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-morpholin-4-ylethenoxy)phenyl]methanone (PubChem CID 167631813) has the molecular formula C206H221F10N27O24 and a molecular weight of 3649.18 g/mol. Its IUPAC name is (Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-morpholin-4-ylethenoxy)phenyl]methanone.
| Compound Name | (Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-morpholin-4-ylethenoxy)phenyl]methanone |
|---|---|
| PubChem CID | 167631813 |
| Molecular Formula | C206H221F10N27O24 |
| Molecular Weight | 3649.18 g/mol |
| Exact Mass | 3646.67 |
| IUPAC Name | (Z)-7-[4-(dimethylamino)phenyl]-1-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]hept-2-ene-1,4-dione;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[3-[(5-methyl-2-pyridinyl)oxy]azetidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]benzamide;[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]phenyl] 2-hydroxybenzoate;[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-[2-(1-morpholin-4-ylethenoxy)phenyl]methanone |
| SMILES | C=C(Oc1ccccc1C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1)N1CCOCC1.CN(C)c1ccc(-c2ccc(OC3CCN(C(=O)c4ccccc4OC(=O)c4ccccc4O)CC3)nc2)cc1.CN(C)c1ccc(CCCC(=O)/C=C\C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1.CN(C)c1ccc(CCNC(=O)c2ccc(F)cc2C(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1.Cc1ccc(OC2CN(C(=O)c3cc(F)ccc3C(=O)NCCc3ccc(N(C)C)cc3)C2)nc1.Cc1ccc(OC2CN(C(=O)c3ccc(F)cc3C(=O)NCCc3ccc(N(C)C)cc3)C2)nc1 |
| InChI | InChI=1S/C33H40N4O3.C32H31N3O5.C31H36N4O4.2C28H28F4N4O3.2C27H29FN4O3/c1-35(2)28-13-8-25(9-14-28)6-5-7-30(38)17-19-33(39)37-22-20-31(21-23-37)40-32-18-12-27(24-34-32)26-10-15-29(16-11-26)36(3)4;1-34(2)24-14-11-22(12-15-24)23-13-16-30(33-21-23)39-25-17-19-35(20-18-25)31(37)27-8-4-6-10-29(27)40-32(38)26-7-3-5-9-28(26)36;1-23(34-18-20-37-21-19-34)38-29-7-5-4-6-28(29)31(36)35-16-14-27(15-17-35)39-30-13-10-25(22-32-30)24-8-11-26(12-9-24)33(2)3;1-35(2)21-7-3-18(4-8-21)11-13-33-26(37)24-15-20(29)6-9-23(24)27(38)36-14-12-22(17-36)39-25-10-5-19(16-34-25)28(30,31)32;1-35(2)21-7-3-18(4-8-21)11-13-33-26(37)23-9-6-20(29)15-24(23)27(38)36-14-12-22(17-36)39-25-10-5-19(16-34-25)28(30,31)32;1-18-4-11-25(30-15-18)35-22-16-32(17-22)27(34)23-10-7-20(28)14-24(23)26(33)29-13-12-19-5-8-21(9-6-19)31(2)3;1-18-4-11-25(30-15-18)35-22-16-32(17-22)27(34)24-14-20(28)7-10-23(24)26(33)29-13-12-19-5-8-21(9-6-19)31(2)3/h8-19,24,31H,5-7,20-23H2,1-4H3;3-16,21,25,36H,17-20H2,1-2H3;4-13,22,27H,1,14-21H2,2-3H3;2*3-10,15-16,22H,11-14,17H2,1-2H3,(H,33,37);2*4-11,14-15,22H,12-13,16-17H2,1-3H3,(H,29,33)/b19-17-;;;;;;/t;;;2*22-;;/m...00../s1 |
| InChIKey | NXIFALHKUAYMDO-AHUJKVJOSA-N |
| XLogP | 31.59 |
| TPSA | 524.63 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 40 |
| Rotatable Bonds | 58 |
| Heavy Atoms | 267 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3649.18 |
| LogP ≤ 5 | 31.59 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 40 |
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'} |
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