About 1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-(dimethylamino)ethanone
1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 70689026) has the molecular formula C23H32N10O2
and a molecular weight of 480.58 g/mol. Its IUPAC name is 1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-(dimethylamino)ethanone.
Molecular Properties
| Compound Name | 1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-(dimethylamino)ethanone |
|---|
| PubChem CID | 70689026 |
|---|
| Molecular Formula | C23H32N10O2 |
|---|
| Molecular Weight | 480.58 g/mol |
|---|
| Exact Mass | 480.27 |
|---|
| IUPAC Name | 1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-(dimethylamino)ethanone |
|---|
| SMILES | CN(C)CC(=O)N1CCN(Cc2cn3cc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CC1 |
|---|
| InChI | InChI=1S/C23H32N10O2/c1-29(2)16-20(34)31-5-3-30(4-6-31)13-18-14-33-15-19(17-11-25-23(24)26-12-17)28-22(21(33)27-18)32-7-9-35-10-8-32/h11-12,14-15H,3-10,13,16H2,1-2H3,(H2,24,25,26) |
|---|
| InChIKey | NJFPAGGSHFZGCM-UHFFFAOYSA-N |
|---|
| XLogP | -0.19 |
|---|
| TPSA | 121.25 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 11 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 480.58 |
| LogP ≤ 5 | -0.19 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze 1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-(dimethylamino)ethanone with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-(dimethylamino)ethanone (CID 70689026) is 1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCN(Cc2cn3cc(-c4cnc(N)nc4)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of 1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is NJFPAGGSHFZGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N10O2/c1-29(2)16-20(34)31-5-3-30(4-6-31)13-18-14-33-15-19(17-11-25-23(24)26-12-17)28-22(21(33)27-18)32-7-9-35-10-8-32/h11-12,14-15H,3-10,13,16H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-(dimethylamino)ethanone?
1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 480.58 g/mol, XLogP of -0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(2-aminopyrimidin-5-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl]methyl]piperazin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 70689026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).