About (2S)-1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
(2S)-1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one (PubChem CID 70691137) has the molecular formula C22H29N9O3
and a molecular weight of 467.53 g/mol. Its IUPAC name is (2S)-1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one.
Molecular Properties
| Compound Name | (2S)-1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one |
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| PubChem CID | 70691137 |
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| Molecular Formula | C22H29N9O3 |
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| Molecular Weight | 467.53 g/mol |
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| Exact Mass | 467.24 |
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| IUPAC Name | (2S)-1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one |
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| SMILES | C[C@H](O)C(=O)N1CCN(Cc2cn3cc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CC1 |
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| InChI | InChI=1S/C22H29N9O3/c1-15(32)21(33)30-4-2-28(3-5-30)12-17-13-31-14-18(16-10-24-22(23)25-11-16)27-20(19(31)26-17)29-6-8-34-9-7-29/h10-11,13-15,32H,2-9,12H2,1H3,(H2,23,24,25)/t15-/m0/s1 |
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| InChIKey | QTVBKEXSIOQLFP-HNNXBMFYSA-N |
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| XLogP | -0.37 |
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| TPSA | 138.24 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 467.53 |
| LogP ≤ 5 | -0.37 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze (2S)-1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2S)-1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one?
The IUPAC name of (2S)-1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one (CID 70691137) is (2S)-1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for (2S)-1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one?
The canonical SMILES for (2S)-1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one is C[C@H](O)C(=O)N1CCN(Cc2cn3cc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of (2S)-1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is QTVBKEXSIOQLFP-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H29N9O3/c1-15(32)21(33)30-4-2-28(3-5-30)12-17-13-31-14-18(16-10-24-22(23)25-11-16)27-20(19(31)26-17)29-6-8-34-9-7-29/h10-11,13-15,32H,2-9,12H2,1H3,(H2,23,24,25)/t15-/m0/s1.
What are the key properties of (2S)-1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one?
(2S)-1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 467.53 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 70691137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).