About 4-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride
4-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride (PubChem CID 90169604) has the molecular formula C20H18Cl2F3N7
and a molecular weight of 484.31 g/mol. Its IUPAC name is 4-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride.
Molecular Properties
| Compound Name | 4-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride |
|---|
| PubChem CID | 90169604 |
|---|
| Molecular Formula | C20H18Cl2F3N7 |
|---|
| Molecular Weight | 484.31 g/mol |
|---|
| Exact Mass | 483.10 |
|---|
| IUPAC Name | 4-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride |
|---|
| SMILES | Cl.FC(F)(F)c1cc(-c2cnc(C3CCN(c4ncnc5[nH]ncc45)CC3)[nH]2)ccc1Cl |
|---|
| InChI | InChI=1S/C20H17ClF3N7.ClH/c21-15-2-1-12(7-14(15)20(22,23)24)16-9-25-17(29-16)11-3-5-31(6-4-11)19-13-8-28-30-18(13)26-10-27-19;/h1-2,7-11H,3-6H2,(H,25,29)(H,26,27,28,30);1H |
|---|
| InChIKey | GMEQUMKRUXKGAO-UHFFFAOYSA-N |
|---|
| XLogP | 5.22 |
|---|
| TPSA | 86.38 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 3 |
|---|
| Heavy Atoms | 32 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 484.31 |
| LogP ≤ 5 | 5.22 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze 4-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride 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-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride?
The IUPAC name of 4-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride (CID 90169604) is 4-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride.
What is the SMILES notation for 4-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride?
The canonical SMILES for 4-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride is Cl.FC(F)(F)c1cc(-c2cnc(C3CCN(c4ncnc5[nH]ncc45)CC3)[nH]2)ccc1Cl.
What is the InChIKey of 4-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride?
The InChIKey is GMEQUMKRUXKGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF3N7.ClH/c21-15-2-1-12(7-14(15)20(22,23)24)16-9-25-17(29-16)11-3-5-31(6-4-11)19-13-8-28-30-18(13)26-10-27-19;/h1-2,7-11H,3-6H2,(H,25,29)(H,26,27,28,30);1H.
What are the key properties of 4-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride?
4-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride has a molecular weight of 484.31 g/mol, XLogP of 5.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine;hydrochloride is sourced from PubChem (CID 90169604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).