About 3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine
3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine (PubChem CID 66789836) has the molecular formula C20H21N11O
and a molecular weight of 431.46 g/mol. Its IUPAC name is 3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine.
Molecular Properties
| Compound Name | 3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine |
|---|
| PubChem CID | 66789836 |
|---|
| Molecular Formula | C20H21N11O |
|---|
| Molecular Weight | 431.46 g/mol |
|---|
| Exact Mass | 431.19 |
|---|
| IUPAC Name | 3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine |
|---|
| SMILES | COCCn1cc(Nc2cc(-c3c(Nc4ccn[nH]4)nc4cccnn34)nc(C)n2)cn1 |
|---|
| InChI | InChI=1S/C20H21N11O/c1-13-24-15(10-17(25-13)26-14-11-23-30(12-14)8-9-32-2)19-20(27-16-5-7-21-29-16)28-18-4-3-6-22-31(18)19/h3-7,10-12H,8-9H2,1-2H3,(H2,21,27,29)(H,24,25,26) |
|---|
| InChIKey | PEZVKWYNMVMLJL-UHFFFAOYSA-N |
|---|
| XLogP | 2.55 |
|---|
| TPSA | 135.76 Ų |
|---|
| H-Bond Donors | 3 |
|---|
| H-Bond Acceptors | 11 |
|---|
| Rotatable Bonds | 8 |
|---|
| Heavy Atoms | 32 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 431.46 |
| LogP ≤ 5 | 2.55 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze 3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine 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 3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
The IUPAC name of 3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine (CID 66789836) is 3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine.
What is the SMILES notation for 3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
The canonical SMILES for 3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine is COCCn1cc(Nc2cc(-c3c(Nc4ccn[nH]4)nc4cccnn34)nc(C)n2)cn1.
What is the InChIKey of 3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
The InChIKey is PEZVKWYNMVMLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N11O/c1-13-24-15(10-17(25-13)26-14-11-23-30(12-14)8-9-32-2)19-20(27-16-5-7-21-29-16)28-18-4-3-6-22-31(18)19/h3-7,10-12H,8-9H2,1-2H3,(H2,21,27,29)(H,24,25,26).
What are the key properties of 3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine?
3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine has a molecular weight of 431.46 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-methylpyrimidin-4-yl]-N-(1H-pyrazol-5-yl)imidazo[1,2-b]pyridazin-2-amine is sourced from PubChem (CID 66789836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).