About 1-[4-[[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
1-[4-[[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone (PubChem CID 83278381) has the molecular formula C35H32N4O2S
and a molecular weight of 572.73 g/mol. Its IUPAC name is 1-[4-[[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone.
Molecular Properties
| Compound Name | 1-[4-[[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone |
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| PubChem CID | 83278381 |
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| Molecular Formula | C35H32N4O2S |
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| Molecular Weight | 572.73 g/mol |
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| Exact Mass | 572.22 |
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| IUPAC Name | 1-[4-[[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone |
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| SMILES | O=C(COCc1ccccc1)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4cc5ccccc5s4)cn23)CC1 |
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| InChI | InChI=1S/C35H32N4O2S/c40-34(25-41-24-26-9-3-1-4-10-26)38-19-17-37(18-20-38)23-30-35(27-11-5-2-6-12-27)36-33-16-15-29(22-39(30)33)32-21-28-13-7-8-14-31(28)42-32/h1-16,21-22H,17-20,23-25H2 |
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| InChIKey | NUPAHYHRTBVQCQ-UHFFFAOYSA-N |
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| XLogP | 6.74 |
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| TPSA | 50.08 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 572.73 |
| LogP ≤ 5 | 6.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 1-[4-[[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-[[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone (CID 83278381) is 1-[4-[[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-[[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-[[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone is O=C(COCc1ccccc1)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4cc5ccccc5s4)cn23)CC1.
What is the InChIKey of 1-[4-[[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is NUPAHYHRTBVQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N4O2S/c40-34(25-41-24-26-9-3-1-4-10-26)38-19-17-37(18-20-38)23-30-35(27-11-5-2-6-12-27)36-33-16-15-29(22-39(30)33)32-21-28-13-7-8-14-31(28)42-32/h1-16,21-22H,17-20,23-25H2.
What are the key properties of 1-[4-[[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone?
1-[4-[[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 572.73 g/mol, XLogP of 6.74, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(1-benzothiophen-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 83278381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).