About [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 83288877) has the molecular formula C32H29ClN4O
and a molecular weight of 521.06 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone.
Molecular Properties
| Compound Name | [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone |
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| PubChem CID | 83288877 |
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| Molecular Formula | C32H29ClN4O |
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| Molecular Weight | 521.06 g/mol |
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| Exact Mass | 520.20 |
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| IUPAC Name | [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone |
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| SMILES | Cc1ccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)cc1 |
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| InChI | InChI=1S/C32H29ClN4O/c1-23-7-9-26(10-8-23)32(38)36-19-17-35(18-20-36)22-29-31(25-11-14-28(33)15-12-25)34-30-16-13-27(21-37(29)30)24-5-3-2-4-6-24/h2-16,21H,17-20,22H2,1H3 |
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| InChIKey | RSILBHODWHDQGU-UHFFFAOYSA-N |
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| XLogP | 6.59 |
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| TPSA | 40.85 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 521.06 |
| LogP ≤ 5 | 6.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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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]-(4-methylphenyl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone (CID 83288877) is [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccc(-c5ccccc5)cn34)CC2)cc1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is RSILBHODWHDQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29ClN4O/c1-23-7-9-26(10-8-23)32(38)36-19-17-35(18-20-36)22-29-31(25-11-14-28(33)15-12-25)34-30-16-13-27(21-37(29)30)24-5-3-2-4-6-24/h2-16,21H,17-20,22H2,1H3.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 521.06 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 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]-(4-methylphenyl)methanone is sourced from PubChem (CID 83288877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).