About 5-[4-(aminomethyl)piperidin-1-yl]-1-(2-ethoxyethyl)-3-ethyl-N-(6-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
5-[4-(aminomethyl)piperidin-1-yl]-1-(2-ethoxyethyl)-3-ethyl-N-(6-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 69368689) has the molecular formula C23H34N8O
and a molecular weight of 438.58 g/mol. Its IUPAC name is 5-[4-(aminomethyl)piperidin-1-yl]-1-(2-ethoxyethyl)-3-ethyl-N-(6-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine.
Molecular Properties
| Compound Name | 5-[4-(aminomethyl)piperidin-1-yl]-1-(2-ethoxyethyl)-3-ethyl-N-(6-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine |
|---|
| PubChem CID | 69368689 |
|---|
| Molecular Formula | C23H34N8O |
|---|
| Molecular Weight | 438.58 g/mol |
|---|
| Exact Mass | 438.29 |
|---|
| IUPAC Name | 5-[4-(aminomethyl)piperidin-1-yl]-1-(2-ethoxyethyl)-3-ethyl-N-(6-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine |
|---|
| SMILES | CCOCCn1nc(CC)c2nc(N3CCC(CN)CC3)nc(Nc3cccc(C)n3)c21 |
|---|
| InChI | InChI=1S/C23H34N8O/c1-4-18-20-21(31(29-18)13-14-32-5-2)22(26-19-8-6-7-16(3)25-19)28-23(27-20)30-11-9-17(15-24)10-12-30/h6-8,17H,4-5,9-15,24H2,1-3H3,(H,25,26,27,28) |
|---|
| InChIKey | KDHAYSNKXNPQAU-UHFFFAOYSA-N |
|---|
| XLogP | 3.05 |
|---|
| TPSA | 107.01 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 32 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 438.58 |
| LogP ≤ 5 | 3.05 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Analyze 5-[4-(aminomethyl)piperidin-1-yl]-1-(2-ethoxyethyl)-3-ethyl-N-(6-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-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 5-[4-(aminomethyl)piperidin-1-yl]-1-(2-ethoxyethyl)-3-ethyl-N-(6-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-[4-(aminomethyl)piperidin-1-yl]-1-(2-ethoxyethyl)-3-ethyl-N-(6-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 69368689) is 5-[4-(aminomethyl)piperidin-1-yl]-1-(2-ethoxyethyl)-3-ethyl-N-(6-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-[4-(aminomethyl)piperidin-1-yl]-1-(2-ethoxyethyl)-3-ethyl-N-(6-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-[4-(aminomethyl)piperidin-1-yl]-1-(2-ethoxyethyl)-3-ethyl-N-(6-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine is CCOCCn1nc(CC)c2nc(N3CCC(CN)CC3)nc(Nc3cccc(C)n3)c21.
What is the InChIKey of 5-[4-(aminomethyl)piperidin-1-yl]-1-(2-ethoxyethyl)-3-ethyl-N-(6-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is KDHAYSNKXNPQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N8O/c1-4-18-20-21(31(29-18)13-14-32-5-2)22(26-19-8-6-7-16(3)25-19)28-23(27-20)30-11-9-17(15-24)10-12-30/h6-8,17H,4-5,9-15,24H2,1-3H3,(H,25,26,27,28).
What are the key properties of 5-[4-(aminomethyl)piperidin-1-yl]-1-(2-ethoxyethyl)-3-ethyl-N-(6-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine?
5-[4-(aminomethyl)piperidin-1-yl]-1-(2-ethoxyethyl)-3-ethyl-N-(6-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 438.58 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)piperidin-1-yl]-1-(2-ethoxyethyl)-3-ethyl-N-(6-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 69368689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).