About [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone
[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone (PubChem CID 121309804) has the molecular formula C27H31ClN4O2
and a molecular weight of 479.02 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone.
Molecular Properties
| Compound Name | [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone |
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| PubChem CID | 121309804 |
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| Molecular Formula | C27H31ClN4O2 |
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| Molecular Weight | 479.02 g/mol |
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| Exact Mass | 478.21 |
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| IUPAC Name | [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone |
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| SMILES | O=C(C1CCOCC1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(C4CC4)cn23)CC1 |
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| InChI | InChI=1S/C27H31ClN4O2/c28-23-6-3-20(4-7-23)26-24(32-17-22(19-1-2-19)5-8-25(32)29-26)18-30-11-13-31(14-12-30)27(33)21-9-15-34-16-10-21/h3-8,17,19,21H,1-2,9-16,18H2 |
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| InChIKey | PXYUKCWYVDFUPZ-UHFFFAOYSA-N |
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| XLogP | 4.60 |
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| TPSA | 50.08 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 479.02 |
| LogP ≤ 5 | 4.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone (CID 121309804) is [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(C4CC4)cn23)CC1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is PXYUKCWYVDFUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN4O2/c28-23-6-3-20(4-7-23)26-24(32-17-22(19-1-2-19)5-8-25(32)29-26)18-30-11-13-31(14-12-30)27(33)21-9-15-34-16-10-21/h3-8,17,19,21H,1-2,9-16,18H2.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone?
[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 479.02 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 121309804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).