About 7-amino-5-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde
7-amino-5-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde (PubChem CID 88580010) has the molecular formula C29H31N7O3
and a molecular weight of 525.61 g/mol. Its IUPAC name is 7-amino-5-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde.
Molecular Properties
| Compound Name | 7-amino-5-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde |
|---|
| PubChem CID | 88580010 |
|---|
| Molecular Formula | C29H31N7O3 |
|---|
| Molecular Weight | 525.61 g/mol |
|---|
| Exact Mass | 525.25 |
|---|
| IUPAC Name | 7-amino-5-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde |
|---|
| SMILES | Nc1c(C=O)c(C2CCN(C(=O)CN3CCOCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12 |
|---|
| InChI | InChI=1S/C29H31N7O3/c30-28-24(19-37)27(21-8-10-35(11-9-21)26(38)18-34-12-14-39-15-13-34)33-29-23(17-32-36(28)29)22-6-7-25(31-16-22)20-4-2-1-3-5-20/h1-7,16-17,19,21H,8-15,18,30H2 |
|---|
| InChIKey | DWNKEVQWJAGDKZ-UHFFFAOYSA-N |
|---|
| XLogP | 2.89 |
|---|
| TPSA | 118.95 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 39 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 525.61 |
| LogP ≤ 5 | 2.89 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
|---|
Analyze 7-amino-5-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde 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 7-amino-5-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The IUPAC name of 7-amino-5-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde (CID 88580010) is 7-amino-5-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde.
What is the SMILES notation for 7-amino-5-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The canonical SMILES for 7-amino-5-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde is Nc1c(C=O)c(C2CCN(C(=O)CN3CCOCC3)CC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12.
What is the InChIKey of 7-amino-5-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
The InChIKey is DWNKEVQWJAGDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O3/c30-28-24(19-37)27(21-8-10-35(11-9-21)26(38)18-34-12-14-39-15-13-34)33-29-23(17-32-36(28)29)22-6-7-25(31-16-22)20-4-2-1-3-5-20/h1-7,16-17,19,21H,8-15,18,30H2.
What are the key properties of 7-amino-5-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde?
7-amino-5-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde has a molecular weight of 525.61 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-[1-(2-morpholin-4-ylacetyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbaldehyde is sourced from PubChem (CID 88580010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).