About 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 1433607) has the molecular formula C25H26N6O3
and a molecular weight of 458.52 g/mol. Its IUPAC name is 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
Molecular Properties
| Compound Name | 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one |
|---|
| PubChem CID | 1433607 |
|---|
| Molecular Formula | C25H26N6O3 |
|---|
| Molecular Weight | 458.52 g/mol |
|---|
| Exact Mass | 458.21 |
|---|
| IUPAC Name | 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one |
|---|
| SMILES | COc1ccc(N2CCN(C(=O)Cn3cnc4c(cnn4-c4ccc(C)cc4)c3=O)CC2)cc1 |
|---|
| InChI | InChI=1S/C25H26N6O3/c1-18-3-5-20(6-4-18)31-24-22(15-27-31)25(33)30(17-26-24)16-23(32)29-13-11-28(12-14-29)19-7-9-21(34-2)10-8-19/h3-10,15,17H,11-14,16H2,1-2H3 |
|---|
| InChIKey | FMGYVTOAMYYCKM-UHFFFAOYSA-N |
|---|
| XLogP | 2.25 |
|---|
| TPSA | 85.49 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 34 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 458.52 |
| LogP ≤ 5 | 2.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'} |
|---|
Analyze 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one 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-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 1433607) is 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(N2CCN(C(=O)Cn3cnc4c(cnn4-c4ccc(C)cc4)c3=O)CC2)cc1.
What is the InChIKey of 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FMGYVTOAMYYCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-18-3-5-20(6-4-18)31-24-22(15-27-31)25(33)30(17-26-24)16-23(32)29-13-11-28(12-14-29)19-7-9-21(34-2)10-8-19/h3-10,15,17H,11-14,16H2,1-2H3.
What are the key properties of 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 458.52 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 1433607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).