About 1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(1-methylpiperidin-4-yl)urea
1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(1-methylpiperidin-4-yl)urea (PubChem CID 25195997) has the molecular formula C34H43N9O2
and a molecular weight of 609.78 g/mol. Its IUPAC name is 1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(1-methylpiperidin-4-yl)urea.
Molecular Properties
| Compound Name | 1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(1-methylpiperidin-4-yl)urea |
|---|
| PubChem CID | 25195997 |
|---|
| Molecular Formula | C34H43N9O2 |
|---|
| Molecular Weight | 609.78 g/mol |
|---|
| Exact Mass | 609.35 |
|---|
| IUPAC Name | 1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(1-methylpiperidin-4-yl)urea |
|---|
| SMILES | CN1CCC(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6ccccc6)CC5)c4n3)cc2)CC1 |
|---|
| InChI | InChI=1S/C34H43N9O2/c1-40-15-11-28(12-16-40)37-34(44)36-27-9-7-26(8-10-27)31-38-32(42-19-21-45-22-20-42)30-23-35-43(33(30)39-31)29-13-17-41(18-14-29)24-25-5-3-2-4-6-25/h2-10,23,28-29H,11-22,24H2,1H3,(H2,36,37,44) |
|---|
| InChIKey | AAHPRKDUIDQODH-UHFFFAOYSA-N |
|---|
| XLogP | 4.38 |
|---|
| TPSA | 103.68 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 45 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 609.78 |
| LogP ≤ 5 | 4.38 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze 1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(1-methylpiperidin-4-yl)urea 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-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(1-methylpiperidin-4-yl)urea (CID 25195997) is 1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(1-methylpiperidin-4-yl)urea is CN1CCC(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cnn(C5CCN(Cc6ccccc6)CC5)c4n3)cc2)CC1.
What is the InChIKey of 1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is AAHPRKDUIDQODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N9O2/c1-40-15-11-28(12-16-40)37-34(44)36-27-9-7-26(8-10-27)31-38-32(42-19-21-45-22-20-42)30-23-35-43(33(30)39-31)29-13-17-41(18-14-29)24-25-5-3-2-4-6-25/h2-10,23,28-29H,11-22,24H2,1H3,(H2,36,37,44).
What are the key properties of 1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(1-methylpiperidin-4-yl)urea?
1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 609.78 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 25195997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).