About [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
[4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 83275116) has the molecular formula C34H29FN4O2S
and a molecular weight of 576.70 g/mol. Its IUPAC name is [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone.
Molecular Properties
| Compound Name | [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone |
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| PubChem CID | 83275116 |
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| Molecular Formula | C34H29FN4O2S |
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| Molecular Weight | 576.70 g/mol |
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| Exact Mass | 576.20 |
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| IUPAC Name | [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone |
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| SMILES | COc1ccc(-c2nc3ccc(-c4cc5ccccc5s4)cn3c2CN2CCN(C(=O)c3cccc(F)c3)CC2)cc1 |
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| InChI | InChI=1S/C34H29FN4O2S/c1-41-28-12-9-23(10-13-28)33-29(22-37-15-17-38(18-16-37)34(40)25-6-4-7-27(35)19-25)39-21-26(11-14-32(39)36-33)31-20-24-5-2-3-8-30(24)42-31/h2-14,19-21H,15-18,22H2,1H3 |
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| InChIKey | STTCSQLORRKERJ-UHFFFAOYSA-N |
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| XLogP | 6.99 |
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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 | 6 |
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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 | 576.70 |
| LogP ≤ 5 | 6.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone (CID 83275116) is [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone is COc1ccc(-c2nc3ccc(-c4cc5ccccc5s4)cn3c2CN2CCN(C(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is STTCSQLORRKERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29FN4O2S/c1-41-28-12-9-23(10-13-28)33-29(22-37-15-17-38(18-16-37)34(40)25-6-4-7-27(35)19-25)39-21-26(11-14-32(39)36-33)31-20-24-5-2-3-8-30(24)42-31/h2-14,19-21H,15-18,22H2,1H3.
What are the key properties of [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 576.70 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(1-benzothiophen-2-yl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 83275116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).