About [3-ethoxy-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone
[3-ethoxy-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 56658692) has the molecular formula C23H27N7O2S
and a molecular weight of 465.58 g/mol. Its IUPAC name is [3-ethoxy-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone.
Molecular Properties
| Compound Name | [3-ethoxy-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone |
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| PubChem CID | 56658692 |
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| Molecular Formula | C23H27N7O2S |
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| Molecular Weight | 465.58 g/mol |
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| Exact Mass | 465.19 |
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| IUPAC Name | [3-ethoxy-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone |
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| SMILES | CCOc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sc1C(=O)N1CCCC(C)C1 |
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| InChI | InChI=1S/C23H27N7O2S/c1-4-32-18-8-19(33-20(18)23(31)29-7-5-6-14(2)12-29)28-21-22-24-11-17(16-9-25-26-10-16)30(22)13-15(3)27-21/h8-11,13-14H,4-7,12H2,1-3H3,(H,25,26)(H,27,28) |
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| InChIKey | HCVSOJQZDUYODJ-UHFFFAOYSA-N |
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| XLogP | 4.50 |
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| TPSA | 100.44 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 465.58 |
| LogP ≤ 5 | 4.50 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze [3-ethoxy-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [3-ethoxy-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-ethoxy-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone (CID 56658692) is [3-ethoxy-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-ethoxy-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-ethoxy-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone is CCOc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sc1C(=O)N1CCCC(C)C1.
What is the InChIKey of [3-ethoxy-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is HCVSOJQZDUYODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2S/c1-4-32-18-8-19(33-20(18)23(31)29-7-5-6-14(2)12-29)28-21-22-24-11-17(16-9-25-26-10-16)30(22)13-15(3)27-21/h8-11,13-14H,4-7,12H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of [3-ethoxy-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone?
[3-ethoxy-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 465.58 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]thiophen-2-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 56658692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).