About 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 118413947) has the molecular formula C28H27FN6
and a molecular weight of 466.56 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.
Molecular Properties
| Compound Name | 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
|---|
| PubChem CID | 118413947 |
|---|
| Molecular Formula | C28H27FN6 |
|---|
| Molecular Weight | 466.56 g/mol |
|---|
| Exact Mass | 466.23 |
|---|
| IUPAC Name | 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine |
|---|
| SMILES | Cc1ccc(-c2nc(C3CCN(c4ncnc5[nH]c(-c6ccc(F)cc6)cc45)CC3)[nH]c2C)cc1 |
|---|
| InChI | InChI=1S/C28H27FN6/c1-17-3-5-20(6-4-17)25-18(2)32-26(34-25)21-11-13-35(14-12-21)28-23-15-24(33-27(23)30-16-31-28)19-7-9-22(29)10-8-19/h3-10,15-16,21H,11-14H2,1-2H3,(H,32,34)(H,30,31,33) |
|---|
| InChIKey | ISAGRCYVGLOTOE-UHFFFAOYSA-N |
|---|
| XLogP | 6.15 |
|---|
| TPSA | 73.49 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 466.56 |
| LogP ≤ 5 | 6.15 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Analyze 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine 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 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine (CID 118413947) is 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is Cc1ccc(-c2nc(C3CCN(c4ncnc5[nH]c(-c6ccc(F)cc6)cc45)CC3)[nH]c2C)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is ISAGRCYVGLOTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN6/c1-17-3-5-20(6-4-17)25-18(2)32-26(34-25)21-11-13-35(14-12-21)28-23-15-24(33-27(23)30-16-31-28)19-7-9-22(29)10-8-19/h3-10,15-16,21H,11-14H2,1-2H3,(H,32,34)(H,30,31,33).
What are the key properties of 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine?
6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 466.56 g/mol, XLogP of 6.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-[4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 118413947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).