About [4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 83286727) has the molecular formula C30H27ClN4OS
and a molecular weight of 527.09 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone.
Molecular Properties
| Compound Name | [4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone |
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| PubChem CID | 83286727 |
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| Molecular Formula | C30H27ClN4OS |
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| Molecular Weight | 527.09 g/mol |
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| Exact Mass | 526.16 |
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| IUPAC Name | [4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone |
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| SMILES | Cc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCN(C(=O)c5cccs5)CC4)n3c2)c1 |
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| InChI | InChI=1S/C30H27ClN4OS/c1-21-4-2-5-23(18-21)24-9-12-28-32-29(22-7-10-25(31)11-8-22)26(35(28)19-24)20-33-13-15-34(16-14-33)30(36)27-6-3-17-37-27/h2-12,17-19H,13-16,20H2,1H3 |
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| InChIKey | GTSXFZZBHDTBAF-UHFFFAOYSA-N |
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| XLogP | 6.65 |
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| TPSA | 40.85 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 | 37 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 527.09 |
| LogP ≤ 5 | 6.65 |
| 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-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 83286727) is [4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone is Cc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)c(CN4CCN(C(=O)c5cccs5)CC4)n3c2)c1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is GTSXFZZBHDTBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClN4OS/c1-21-4-2-5-23(18-21)24-9-12-28-32-29(22-7-10-25(31)11-8-22)26(35(28)19-24)20-33-13-15-34(16-14-33)30(36)27-6-3-17-37-27/h2-12,17-19H,13-16,20H2,1H3.
What are the key properties of [4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[[2-(4-chlorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 527.09 g/mol, XLogP of 6.65, 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-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 83286727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).