4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
C140H130Cl3F6N21O8 — CID 161230072
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESClc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)cc1.Clc1ccc(-c2nc3ccc(-c4cncnc4)cn3c2CN2CCOCC2)cc1.FC(F)(F)c1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)cc1.FC(F)(F)c1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.NC(=O)c1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)cc1.OCc1nc2ccc(-c3ccccc3)cn2c1CN1CCOCC1
InChIInChI=1S/C25H21ClF3N3O.C25H22F3N3O.C25H24N4O2.C24H22ClN3O.C22H20ClN5O.C19H21N3O2/c26-19-8-5-17(6-9-19)24-22(16-31-11-13-33-14-12-31)32-15-18(7-10-23(32)30-24)20-3-1-2-4-21(20)25(27,28)29;26-25(27,28)21-9-6-19(7-10-21)24-22(17-30-12-14-32-15-13-30)31-16-20(8-11-23(31)29-24)18-4-2-1-3-5-18;26-25(30)20-8-6-19(7-9-20)24-22(17-28-12-14-31-15-13-28)29-16-21(10-11-23(29)27-24)18-4-2-1-3-5-18;25-21-9-6-19(7-10-21)24-22(17-27-12-14-29-15-13-27)28-16-20(8-11-23(28)26-24)18-4-2-1-3-5-18;23-19-4-1-16(2-5-19)22-20(14-27-7-9-29-10-8-27)28-13-17(3-6-21(28)26-22)18-11-24-15-25-12-18;23-14-17-18(13-21-8-10-24-11-9-21)22-12-16(6-7-19(22)20-17)15-4-2-1-3-5-15/h1-10,15H,11-14,16H2;1-11,16H,12-15,17H2;1-11,16H,12-15,17H2,(H2,26,30);1-11,16H,12-15,17H2;1-6,11-13,15H,7-10,14H2;1-7,12,23H,8-11,13-14H2
InChIKeyUYQBVDVSBISAJE-UHFFFAOYSA-N
MW2455.07 g/mol
LogP26.72
Rot. Bonds25
About 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine (PubChem CID 161230072) has the molecular formula C140H130Cl3F6N21O8 and a molecular weight of 2455.07 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine.
Molecular Properties
| Compound Name | 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine |
|---|---|
| PubChem CID | 161230072 |
| Molecular Formula | C140H130Cl3F6N21O8 |
| Molecular Weight | 2455.07 g/mol |
| Exact Mass | 2451.94 |
| IUPAC Name | 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine |
| SMILES | Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)cc1.Clc1ccc(-c2nc3ccc(-c4cncnc4)cn3c2CN2CCOCC2)cc1.FC(F)(F)c1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)cc1.FC(F)(F)c1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.NC(=O)c1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)cc1.OCc1nc2ccc(-c3ccccc3)cn2c1CN1CCOCC1 |
| InChI | InChI=1S/C25H21ClF3N3O.C25H22F3N3O.C25H24N4O2.C24H22ClN3O.C22H20ClN5O.C19H21N3O2/c26-19-8-5-17(6-9-19)24-22(16-31-11-13-33-14-12-31)32-15-18(7-10-23(32)30-24)20-3-1-2-4-21(20)25(27,28)29;26-25(27,28)21-9-6-19(7-10-21)24-22(17-30-12-14-32-15-13-30)31-16-20(8-11-23(31)29-24)18-4-2-1-3-5-18;26-25(30)20-8-6-19(7-9-20)24-22(17-28-12-14-31-15-13-28)29-16-21(10-11-23(29)27-24)18-4-2-1-3-5-18;25-21-9-6-19(7-10-21)24-22(17-27-12-14-29-15-13-27)28-16-20(8-11-23(28)26-24)18-4-2-1-3-5-18;23-19-4-1-16(2-5-19)22-20(14-27-7-9-29-10-8-27)28-13-17(3-6-21(28)26-22)18-11-24-15-25-12-18;23-14-17-18(13-21-8-10-24-11-9-21)22-12-16(6-7-19(22)20-17)15-4-2-1-3-5-15/h1-10,15H,11-14,16H2;1-11,16H,12-15,17H2;1-11,16H,12-15,17H2,(H2,26,30);1-11,16H,12-15,17H2;1-6,11-13,15H,7-10,14H2;1-7,12,23H,8-11,13-14H2 |
| InChIKey | UYQBVDVSBISAJE-UHFFFAOYSA-N |
| XLogP | 26.72 |
| TPSA | 267.72 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 178 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2455.07 |
| LogP ≤ 5 | 26.72 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 28 |
Frequently Asked Questions
What is the IUPAC name of 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine (CID 161230072) is 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine is Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)cc1.Clc1ccc(-c2nc3ccc(-c4cncnc4)cn3c2CN2CCOCC2)cc1.FC(F)(F)c1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)cc1.FC(F)(F)c1ccccc1-c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.NC(=O)c1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)cc1.OCc1nc2ccc(-c3ccccc3)cn2c1CN1CCOCC1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The InChIKey is UYQBVDVSBISAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF3N3O.C25H22F3N3O.C25H24N4O2.C24H22ClN3O.C22H20ClN5O.C19H21N3O2/c26-19-8-5-17(6-9-19)24-22(16-31-11-13-33-14-12-31)32-15-18(7-10-23(32)30-24)20-3-1-2-4-21(20)25(27,28)29;26-25(27,28)21-9-6-19(7-10-21)24-22(17-30-12-14-32-15-13-30)31-16-20(8-11-23(31)29-24)18-4-2-1-3-5-18;26-25(30)20-8-6-19(7-9-20)24-22(17-28-12-14-31-15-13-28)29-16-21(10-11-23(29)27-24)18-4-2-1-3-5-18;25-21-9-6-19(7-10-21)24-22(17-27-12-14-29-15-13-27)28-16-20(8-11-23(28)26-24)18-4-2-1-3-5-18;23-19-4-1-16(2-5-19)22-20(14-27-7-9-29-10-8-27)28-13-17(3-6-21(28)26-22)18-11-24-15-25-12-18;23-14-17-18(13-21-8-10-24-11-9-21)22-12-16(6-7-19(22)20-17)15-4-2-1-3-5-15/h1-10,15H,11-14,16H2;1-11,16H,12-15,17H2;1-11,16H,12-15,17H2,(H2,26,30);1-11,16H,12-15,17H2;1-6,11-13,15H,7-10,14H2;1-7,12,23H,8-11,13-14H2.
What are the key properties of 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine has a molecular weight of 2455.07 g/mol, XLogP of 26.72, 25 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]benzamide;[3-(morpholin-4-ylmethyl)-6-phenylimidazo[1,2-a]pyridin-2-yl]methanol;4-[[6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine is sourced from PubChem (CID 161230072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 161230072 — identifiers, structure, computed properties (public domain)
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