About [4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 91632981) has the molecular formula C30H28N4OS
and a molecular weight of 492.65 g/mol. Its IUPAC name is [4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone.
Molecular Properties
| Compound Name | [4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone |
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| PubChem CID | 91632981 |
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| Molecular Formula | C30H28N4OS |
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| Molecular Weight | 492.65 g/mol |
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| Exact Mass | 492.20 |
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| IUPAC Name | [4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone |
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| SMILES | Cc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)c3cccs3)CC2)cc1 |
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| InChI | InChI=1S/C30H28N4OS/c1-22-9-11-24(12-10-22)29-26(21-32-15-17-33(18-16-32)30(35)27-8-5-19-36-27)34-20-25(13-14-28(34)31-29)23-6-3-2-4-7-23/h2-14,19-20H,15-18,21H2,1H3 |
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| InChIKey | QWCLLTQNNYUKCU-UHFFFAOYSA-N |
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| XLogP | 6.00 |
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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 | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 492.65 |
| LogP ≤ 5 | 6.00 |
| 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-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone (CID 91632981) is [4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone is Cc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCN(C(=O)c3cccs3)CC2)cc1.
What is the InChIKey of [4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is QWCLLTQNNYUKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4OS/c1-22-9-11-24(12-10-22)29-26(21-32-15-17-33(18-16-32)30(35)27-8-5-19-36-27)34-20-25(13-14-28(34)31-29)23-6-3-2-4-7-23/h2-14,19-20H,15-18,21H2,1H3.
What are the key properties of [4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone?
[4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 492.65 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-methylphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 91632981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).