About 4-[6-[4-[2-amino-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
4-[6-[4-[2-amino-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (PubChem CID 135241292) has the molecular formula C28H25FN10O
and a molecular weight of 536.58 g/mol. Its IUPAC name is 4-[6-[4-[2-amino-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.
Molecular Properties
| Compound Name | 4-[6-[4-[2-amino-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile |
|---|
| PubChem CID | 135241292 |
|---|
| Molecular Formula | C28H25FN10O |
|---|
| Molecular Weight | 536.58 g/mol |
|---|
| Exact Mass | 536.22 |
|---|
| IUPAC Name | 4-[6-[4-[2-amino-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile |
|---|
| SMILES | Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCN(C(=O)C(N)c5ccccc5F)CC4)nc3)n2)cn1 |
|---|
| InChI | InChI=1S/C28H25FN10O/c1-36-16-20(15-33-36)23-17-39-27(19(12-30)14-34-39)26(35-23)18-6-7-24(32-13-18)37-8-10-38(11-9-37)28(40)25(31)21-4-2-3-5-22(21)29/h2-7,13-17,25H,8-11,31H2,1H3 |
|---|
| InChIKey | CNWFNLYVLBUGIZ-UHFFFAOYSA-N |
|---|
| XLogP | 2.55 |
|---|
| TPSA | 134.26 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 10 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 40 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 536.58 |
| LogP ≤ 5 | 2.55 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 4-[6-[4-[2-amino-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-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-[2-amino-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[2-amino-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile (CID 135241292) is 4-[6-[4-[2-amino-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[2-amino-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[2-amino-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is Cn1cc(-c2cn3ncc(C#N)c3c(-c3ccc(N4CCN(C(=O)C(N)c5ccccc5F)CC4)nc3)n2)cn1.
What is the InChIKey of 4-[6-[4-[2-amino-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
The InChIKey is CNWFNLYVLBUGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN10O/c1-36-16-20(15-33-36)23-17-39-27(19(12-30)14-34-39)26(35-23)18-6-7-24(32-13-18)37-8-10-38(11-9-37)28(40)25(31)21-4-2-3-5-22(21)29/h2-7,13-17,25H,8-11,31H2,1H3.
What are the key properties of 4-[6-[4-[2-amino-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile?
4-[6-[4-[2-amino-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile has a molecular weight of 536.58 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[2-amino-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile is sourced from PubChem (CID 135241292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).