About [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-oxazol-4-yl)methanone
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-oxazol-4-yl)methanone (PubChem CID 121309778) has the molecular formula C28H24ClN5O2
and a molecular weight of 497.99 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-oxazol-4-yl)methanone.
Molecular Properties
| Compound Name | [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-oxazol-4-yl)methanone |
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| PubChem CID | 121309778 |
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| Molecular Formula | C28H24ClN5O2 |
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| Molecular Weight | 497.99 g/mol |
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| Exact Mass | 497.16 |
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| IUPAC Name | [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-oxazol-4-yl)methanone |
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| SMILES | O=C(c1cocn1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1 |
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| InChI | InChI=1S/C28H24ClN5O2/c29-23-9-6-21(7-10-23)27-25(17-32-12-14-33(15-13-32)28(35)24-18-36-19-30-24)34-16-22(8-11-26(34)31-27)20-4-2-1-3-5-20/h1-11,16,18-19H,12-15,17H2 |
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| InChIKey | FZEKMMXTOAGOLW-UHFFFAOYSA-N |
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| XLogP | 5.27 |
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| TPSA | 66.88 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 497.99 |
| LogP ≤ 5 | 5.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-oxazol-4-yl)methanone (CID 121309778) is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-oxazol-4-yl)methanone is O=C(c1cocn1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-oxazol-4-yl)methanone?
The InChIKey is FZEKMMXTOAGOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN5O2/c29-23-9-6-21(7-10-23)27-25(17-32-12-14-33(15-13-32)28(35)24-18-36-19-30-24)34-16-22(8-11-26(34)31-27)20-4-2-1-3-5-20/h1-11,16,18-19H,12-15,17H2.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-oxazol-4-yl)methanone?
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1,3-oxazol-4-yl)methanone has a molecular weight of 497.99 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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]piperazin-1-yl]-(1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 121309778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).