2-(3-fluoro-5-methylphenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone
C177H179F17N26O17 — CID 159099413
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-(3-fluoro-5-methylphenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone
SMILESCc1cc(F)cc(C(O)C(=O)N2CCCN(c3ccc(CC(=O)c4oc(N5CCC(c6ccccc6)CC5)nc4C(F)(F)F)cn3)CC2)c1.O=C(Cc1ccc(N2CCN(C(=O)C3CCCc4ccccc43)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)C3CCc4ccccc4N3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3O)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F
InChIInChI=1S/C37H38F3N5O3.C36H37F4N5O4.C36H37F3N6O3.C34H33F4N5O3.C34H34F3N5O4/c38-37(39,40)34-33(48-36(42-34)45-17-15-27(16-18-45)26-7-2-1-3-8-26)31(46)23-25-13-14-32(41-24-25)43-19-21-44(22-20-43)35(47)30-12-6-10-28-9-4-5-11-29(28)30;1-23-18-27(21-28(37)19-23)31(47)34(48)44-13-5-12-43(16-17-44)30-9-8-24(22-41-30)20-29(46)32-33(36(38,39)40)42-35(49-32)45-14-10-26(11-15-45)25-6-3-2-4-7-25;37-36(38,39)33-32(48-35(42-33)45-16-14-26(15-17-45)25-6-2-1-3-7-25)30(46)22-24-10-13-31(40-23-24)43-18-20-44(21-19-43)34(47)29-12-11-27-8-4-5-9-28(27)41-29;35-27-9-5-4-8-26(27)21-30(45)42-18-16-41(17-19-42)29-11-10-23(22-39-29)20-28(44)31-32(34(36,37)38)40-33(46-31)43-14-12-25(13-15-43)24-6-2-1-3-7-24;35-34(36,37)32-31(46-33(39-32)42-14-12-25(13-15-42)24-6-2-1-3-7-24)28(44)20-23-10-11-29(38-22-23)40-16-18-41(19-17-40)30(45)21-26-8-4-5-9-27(26)43/h1-5,7-9,11,13-14,24,27,30H,6,10,12,15-23H2;2-4,6-9,18-19,21-22,26,31,47H,5,10-17,20H2,1H3;1-10,13,23,26,29,41H,11-12,14-22H2;1-11,22,25H,12-21H2;1-11,22,25,43H,12-21H2
InChIKeyKDBXQEBRYVEYFJ-UHFFFAOYSA-N
MW3265.51 g/mol
LogP30.18
Rot. Bonds38
About 2-(3-fluoro-5-methylphenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone
2-(3-fluoro-5-methylphenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone (PubChem CID 159099413) has the molecular formula C177H179F17N26O17 and a molecular weight of 3265.51 g/mol. Its IUPAC name is 2-(3-fluoro-5-methylphenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone.
Molecular Properties
| Compound Name | 2-(3-fluoro-5-methylphenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone |
|---|---|
| PubChem CID | 159099413 |
| Molecular Formula | C177H179F17N26O17 |
| Molecular Weight | 3265.51 g/mol |
| Exact Mass | 3263.37 |
| IUPAC Name | 2-(3-fluoro-5-methylphenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone |
| SMILES | Cc1cc(F)cc(C(O)C(=O)N2CCCN(c3ccc(CC(=O)c4oc(N5CCC(c6ccccc6)CC5)nc4C(F)(F)F)cn3)CC2)c1.O=C(Cc1ccc(N2CCN(C(=O)C3CCCc4ccccc43)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)C3CCc4ccccc4N3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3O)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F |
| InChI | InChI=1S/C37H38F3N5O3.C36H37F4N5O4.C36H37F3N6O3.C34H33F4N5O3.C34H34F3N5O4/c38-37(39,40)34-33(48-36(42-34)45-17-15-27(16-18-45)26-7-2-1-3-8-26)31(46)23-25-13-14-32(41-24-25)43-19-21-44(22-20-43)35(47)30-12-6-10-28-9-4-5-11-29(28)30;1-23-18-27(21-28(37)19-23)31(47)34(48)44-13-5-12-43(16-17-44)30-9-8-24(22-41-30)20-29(46)32-33(36(38,39)40)42-35(49-32)45-14-10-26(11-15-45)25-6-3-2-4-7-25;37-36(38,39)33-32(48-35(42-33)45-16-14-26(15-17-45)25-6-2-1-3-7-25)30(46)22-24-10-13-31(40-23-24)43-18-20-44(21-19-43)34(47)29-12-11-27-8-4-5-9-28(27)41-29;35-27-9-5-4-8-26(27)21-30(45)42-18-16-41(17-19-42)29-11-10-23(22-39-29)20-28(44)31-32(34(36,37)38)40-33(46-31)43-14-12-25(13-15-43)24-6-2-1-3-7-24;35-34(36,37)32-31(46-33(39-32)42-14-12-25(13-15-42)24-6-2-1-3-7-24)28(44)20-23-10-11-29(38-22-23)40-16-18-41(19-17-40)30(45)21-26-8-4-5-9-27(26)43/h1-5,7-9,11,13-14,24,27,30H,6,10,12,15-23H2;2-4,6-9,18-19,21-22,26,31,47H,5,10-17,20H2,1H3;1-10,13,23,26,29,41H,11-12,14-22H2;1-11,22,25H,12-21H2;1-11,22,25,43H,12-21H2 |
| InChIKey | KDBXQEBRYVEYFJ-UHFFFAOYSA-N |
| XLogP | 30.18 |
| TPSA | 466.39 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 237 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3265.51 |
| LogP ≤ 5 | 30.18 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 38 |
Frequently Asked Questions
What is the IUPAC name of 2-(3-fluoro-5-methylphenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 2-(3-fluoro-5-methylphenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone (CID 159099413) is 2-(3-fluoro-5-methylphenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 2-(3-fluoro-5-methylphenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 2-(3-fluoro-5-methylphenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone is Cc1cc(F)cc(C(O)C(=O)N2CCCN(c3ccc(CC(=O)c4oc(N5CCC(c6ccccc6)CC5)nc4C(F)(F)F)cn3)CC2)c1.O=C(Cc1ccc(N2CCN(C(=O)C3CCCc4ccccc43)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)C3CCc4ccccc4N3)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3F)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.O=C(Cc1ccc(N2CCN(C(=O)Cc3ccccc3O)CC2)nc1)c1oc(N2CCC(c3ccccc3)CC2)nc1C(F)(F)F.
What is the InChIKey of 2-(3-fluoro-5-methylphenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is KDBXQEBRYVEYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38F3N5O3.C36H37F4N5O4.C36H37F3N6O3.C34H33F4N5O3.C34H34F3N5O4/c38-37(39,40)34-33(48-36(42-34)45-17-15-27(16-18-45)26-7-2-1-3-8-26)31(46)23-25-13-14-32(41-24-25)43-19-21-44(22-20-43)35(47)30-12-6-10-28-9-4-5-11-29(28)30;1-23-18-27(21-28(37)19-23)31(47)34(48)44-13-5-12-43(16-17-44)30-9-8-24(22-41-30)20-29(46)32-33(36(38,39)40)42-35(49-32)45-14-10-26(11-15-45)25-6-3-2-4-7-25;37-36(38,39)33-32(48-35(42-33)45-16-14-26(15-17-45)25-6-2-1-3-7-25)30(46)22-24-10-13-31(40-23-24)43-18-20-44(21-19-43)34(47)29-12-11-27-8-4-5-9-28(27)41-29;35-27-9-5-4-8-26(27)21-30(45)42-18-16-41(17-19-42)29-11-10-23(22-39-29)20-28(44)31-32(34(36,37)38)40-33(46-31)43-14-12-25(13-15-43)24-6-2-1-3-7-24;35-34(36,37)32-31(46-33(39-32)42-14-12-25(13-15-42)24-6-2-1-3-7-24)28(44)20-23-10-11-29(38-22-23)40-16-18-41(19-17-40)30(45)21-26-8-4-5-9-27(26)43/h1-5,7-9,11,13-14,24,27,30H,6,10,12,15-23H2;2-4,6-9,18-19,21-22,26,31,47H,5,10-17,20H2,1H3;1-10,13,23,26,29,41H,11-12,14-22H2;1-11,22,25H,12-21H2;1-11,22,25,43H,12-21H2.
What are the key properties of 2-(3-fluoro-5-methylphenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone?
2-(3-fluoro-5-methylphenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 3265.51 g/mol, XLogP of 30.18, 38 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methylphenyl)-2-hydroxy-1-[4-[5-[2-oxo-2-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]-1,4-diazepan-1-yl]ethanone;2-[6-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-[4-[2-(2-hydroxyphenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-[6-[4-(1,2,3,4-tetrahydroquinoline-2-carbonyl)piperazin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 159099413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159099413 — identifiers, structure, computed properties (public domain)
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