4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;cyclobutyl-[4-[[6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(3,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
C120H125BrCl4N18O8 — CID 159029386
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;cyclobutyl-[4-[[6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(3,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
SMILESCC(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.COc1cccc(-c2nc3ccc(Br)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1.COc1cccc(-c2nc3ccc(C4CC4)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1.Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)cc1Cl.Clc1ccc(-c2nc3ccc(Cc4ccccc4)cn3c2CN2CCOCC2)cc1
InChIInChI=1S/C27H32N4O2.C25H24ClN3O.C24H27BrN4O2.C24H21Cl2N3O.C20H21ClN4O2/c1-33-23-7-3-6-21(16-23)26-24(31-17-22(19-8-9-19)10-11-25(31)28-26)18-29-12-14-30(15-13-29)27(32)20-4-2-5-20;26-22-9-7-21(8-10-22)25-23(18-28-12-14-30-15-13-28)29-17-20(6-11-24(29)27-25)16-19-4-2-1-3-5-19;1-31-20-7-3-6-18(14-20)23-21(29-15-19(25)8-9-22(29)26-23)16-27-10-12-28(13-11-27)24(30)17-4-2-5-17;25-20-8-6-18(14-21(20)26)24-22(16-28-10-12-30-13-11-28)29-15-19(7-9-23(29)27-24)17-4-2-1-3-5-17;1-14(26)22-17-6-7-19-23-20(15-2-4-16(21)5-3-15)18(25(19)12-17)13-24-8-10-27-11-9-24/h3,6-7,10-11,16-17,19-20H,2,4-5,8-9,12-15,18H2,1H3;1-11,17H,12-16,18H2;3,6-9,14-15,17H,2,4-5,10-13,16H2,1H3;1-9,14-15H,10-13,16H2;2-7,12H,8-11,13H2,1H3,(H,22,26)
InChIKeyJURMHRWFNZDSOW-UHFFFAOYSA-N
MW2169.15 g/mol
LogP22.88
Rot. Bonds24
About 4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;cyclobutyl-[4-[[6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(3,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine
4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;cyclobutyl-[4-[[6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(3,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine (PubChem CID 159029386) has the molecular formula C120H125BrCl4N18O8 and a molecular weight of 2169.15 g/mol. Its IUPAC name is 4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;cyclobutyl-[4-[[6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(3,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine.
Molecular Properties
| Compound Name | 4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;cyclobutyl-[4-[[6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(3,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine |
|---|---|
| PubChem CID | 159029386 |
| Molecular Formula | C120H125BrCl4N18O8 |
| Molecular Weight | 2169.15 g/mol |
| Exact Mass | 2164.79 |
| IUPAC Name | 4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;cyclobutyl-[4-[[6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(3,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine |
| SMILES | CC(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.COc1cccc(-c2nc3ccc(Br)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1.COc1cccc(-c2nc3ccc(C4CC4)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1.Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)cc1Cl.Clc1ccc(-c2nc3ccc(Cc4ccccc4)cn3c2CN2CCOCC2)cc1 |
| InChI | InChI=1S/C27H32N4O2.C25H24ClN3O.C24H27BrN4O2.C24H21Cl2N3O.C20H21ClN4O2/c1-33-23-7-3-6-21(16-23)26-24(31-17-22(19-8-9-19)10-11-25(31)28-26)18-29-12-14-30(15-13-29)27(32)20-4-2-5-20;26-22-9-7-21(8-10-22)25-23(18-28-12-14-30-15-13-28)29-17-20(6-11-24(29)27-25)16-19-4-2-1-3-5-19;1-31-20-7-3-6-18(14-20)23-21(29-15-19(25)8-9-22(29)26-23)16-27-10-12-28(13-11-27)24(30)17-4-2-5-17;25-20-8-6-18(14-21(20)26)24-22(16-28-10-12-30-13-11-28)29-15-19(7-9-23(29)27-24)17-4-2-1-3-5-17;1-14(26)22-17-6-7-19-23-20(15-2-4-16(21)5-3-15)18(25(19)12-17)13-24-8-10-27-11-9-24/h3,6-7,10-11,16-17,19-20H,2,4-5,8-9,12-15,18H2,1H3;1-11,17H,12-16,18H2;3,6-9,14-15,17H,2,4-5,10-13,16H2,1H3;1-9,14-15H,10-13,16H2;2-7,12H,8-11,13H2,1H3,(H,22,26) |
| InChIKey | JURMHRWFNZDSOW-UHFFFAOYSA-N |
| XLogP | 22.88 |
| TPSA | 218.57 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 151 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2169.15 |
| LogP ≤ 5 | 22.88 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 23 |
Frequently Asked Questions
What is the IUPAC name of 4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;cyclobutyl-[4-[[6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(3,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;cyclobutyl-[4-[[6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(3,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine (CID 159029386) is 4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;cyclobutyl-[4-[[6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(3,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;cyclobutyl-[4-[[6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(3,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;cyclobutyl-[4-[[6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(3,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine is CC(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.COc1cccc(-c2nc3ccc(Br)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1.COc1cccc(-c2nc3ccc(C4CC4)cn3c2CN2CCN(C(=O)C3CCC3)CC2)c1.Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)cc1Cl.Clc1ccc(-c2nc3ccc(Cc4ccccc4)cn3c2CN2CCOCC2)cc1.
What is the InChIKey of 4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;cyclobutyl-[4-[[6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(3,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
The InChIKey is JURMHRWFNZDSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2.C25H24ClN3O.C24H27BrN4O2.C24H21Cl2N3O.C20H21ClN4O2/c1-33-23-7-3-6-21(16-23)26-24(31-17-22(19-8-9-19)10-11-25(31)28-26)18-29-12-14-30(15-13-29)27(32)20-4-2-5-20;26-22-9-7-21(8-10-22)25-23(18-28-12-14-30-15-13-28)29-17-20(6-11-24(29)27-25)16-19-4-2-1-3-5-19;1-31-20-7-3-6-18(14-20)23-21(29-15-19(25)8-9-22(29)26-23)16-27-10-12-28(13-11-27)24(30)17-4-2-5-17;25-20-8-6-18(14-21(20)26)24-22(16-28-10-12-30-13-11-28)29-15-19(7-9-23(29)27-24)17-4-2-1-3-5-17;1-14(26)22-17-6-7-19-23-20(15-2-4-16(21)5-3-15)18(25(19)12-17)13-24-8-10-27-11-9-24/h3,6-7,10-11,16-17,19-20H,2,4-5,8-9,12-15,18H2,1H3;1-11,17H,12-16,18H2;3,6-9,14-15,17H,2,4-5,10-13,16H2,1H3;1-9,14-15H,10-13,16H2;2-7,12H,8-11,13H2,1H3,(H,22,26).
What are the key properties of 4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;cyclobutyl-[4-[[6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(3,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine?
4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;cyclobutyl-[4-[[6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(3,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine has a molecular weight of 2169.15 g/mol, XLogP of 22.88, 24 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-benzyl-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;[4-[[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone;N-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]acetamide;cyclobutyl-[4-[[6-cyclopropyl-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone;4-[[2-(3,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine is sourced from PubChem (CID 159029386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159029386 — identifiers, structure, computed properties (public domain)
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