About 4-[6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
4-[6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 126740317) has the molecular formula C27H28N10
and a molecular weight of 492.59 g/mol. Its IUPAC name is 4-[6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
Molecular Properties
| Compound Name | 4-[6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile |
|---|
| PubChem CID | 126740317 |
|---|
| Molecular Formula | C27H28N10 |
|---|
| Molecular Weight | 492.59 g/mol |
|---|
| Exact Mass | 492.25 |
|---|
| IUPAC Name | 4-[6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile |
|---|
| SMILES | CCn1cc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1 |
|---|
| InChI | InChI=1S/C27H28N10/c1-3-36-17-20(12-31-36)16-34-6-8-35(9-7-34)26-5-4-21(13-29-26)25-10-22(24-15-30-33(2)18-24)19-37-27(25)23(11-28)14-32-37/h4-5,10,12-15,17-19H,3,6-9,16H2,1-2H3 |
|---|
| InChIKey | BCRFYXFULKEKIH-UHFFFAOYSA-N |
|---|
| XLogP | 3.21 |
|---|
| TPSA | 96.10 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 10 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 492.59 |
| LogP ≤ 5 | 3.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 4-[6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile 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 4-[6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 126740317) is 4-[6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CCn1cc(CN2CCN(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.
What is the InChIKey of 4-[6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is BCRFYXFULKEKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N10/c1-3-36-17-20(12-31-36)16-34-6-8-35(9-7-34)26-5-4-21(13-29-26)25-10-22(24-15-30-33(2)18-24)19-37-27(25)23(11-28)14-32-37/h4-5,10,12-15,17-19H,3,6-9,16H2,1-2H3.
What are the key properties of 4-[6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 492.59 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 126740317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).