About 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-4-ylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;dihydrochloride
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-4-ylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;dihydrochloride (PubChem CID 68597596) has the molecular formula C25H28Cl2FN7
and a molecular weight of 516.45 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-4-ylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;dihydrochloride.
Molecular Properties
| Compound Name | 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-4-ylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;dihydrochloride |
|---|
| PubChem CID | 68597596 |
|---|
| Molecular Formula | C25H28Cl2FN7 |
|---|
| Molecular Weight | 516.45 g/mol |
|---|
| Exact Mass | 515.18 |
|---|
| IUPAC Name | 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-4-ylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;dihydrochloride |
|---|
| SMILES | Cc1n[nH]c(C)c1C(c1ccncc1)N1CCN(c2nccnc2-c2ccc(F)cc2)CC1.Cl.Cl |
|---|
| InChI | InChI=1S/C25H26FN7.2ClH/c1-17-22(18(2)31-30-17)24(20-7-9-27-10-8-20)32-13-15-33(16-14-32)25-23(28-11-12-29-25)19-3-5-21(26)6-4-19;;/h3-12,24H,13-16H2,1-2H3,(H,30,31);2*1H |
|---|
| InChIKey | FHHYQHJGIMHVBY-UHFFFAOYSA-N |
|---|
| XLogP | 4.77 |
|---|
| TPSA | 73.83 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 516.45 |
| LogP ≤ 5 | 4.77 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-4-ylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;dihydrochloride 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 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-4-ylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;dihydrochloride?
The IUPAC name of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-4-ylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;dihydrochloride (CID 68597596) is 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-4-ylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;dihydrochloride.
What is the SMILES notation for 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-4-ylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;dihydrochloride?
The canonical SMILES for 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-4-ylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;dihydrochloride is Cc1n[nH]c(C)c1C(c1ccncc1)N1CCN(c2nccnc2-c2ccc(F)cc2)CC1.Cl.Cl.
What is the InChIKey of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-4-ylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;dihydrochloride?
The InChIKey is FHHYQHJGIMHVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7.2ClH/c1-17-22(18(2)31-30-17)24(20-7-9-27-10-8-20)32-13-15-33(16-14-32)25-23(28-11-12-29-25)19-3-5-21(26)6-4-19;;/h3-12,24H,13-16H2,1-2H3,(H,30,31);2*1H.
What are the key properties of 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-4-ylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;dihydrochloride?
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-4-ylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;dihydrochloride has a molecular weight of 516.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)-pyridin-4-ylmethyl]piperazin-1-yl]-3-(4-fluorophenyl)pyrazine;dihydrochloride is sourced from PubChem (CID 68597596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).