About 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-amine
6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-amine (PubChem CID 89445432) has the molecular formula C24H23F4N7S
and a molecular weight of 517.56 g/mol. Its IUPAC name is 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-amine.
Molecular Properties
| Compound Name | 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-amine |
|---|
| PubChem CID | 89445432 |
|---|
| Molecular Formula | C24H23F4N7S |
|---|
| Molecular Weight | 517.56 g/mol |
|---|
| Exact Mass | 517.17 |
|---|
| IUPAC Name | 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-amine |
|---|
| SMILES | Cc1ncc(-c2c(N)ncnc2N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3C)CC2)s1 |
|---|
| InChI | InChI=1S/C24H23F4N7S/c1-13-30-10-19(36-13)20-21(29)31-12-32-23(20)35-7-5-14(6-8-35)22-33-18(11-34(22)2)15-3-4-17(25)16(9-15)24(26,27)28/h3-4,9-12,14H,5-8H2,1-2H3,(H2,29,31,32) |
|---|
| InChIKey | ILZXORYWWZNZFW-UHFFFAOYSA-N |
|---|
| XLogP | 5.43 |
|---|
| TPSA | 85.75 Ų |
|---|
| H-Bond Donors | 1 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 517.56 |
| LogP ≤ 5 | 5.43 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-amine 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-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-amine (CID 89445432) is 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-amine is Cc1ncc(-c2c(N)ncnc2N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3C)CC2)s1.
What is the InChIKey of 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-amine?
The InChIKey is ILZXORYWWZNZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N7S/c1-13-30-10-19(36-13)20-21(29)31-12-32-23(20)35-7-5-14(6-8-35)22-33-18(11-34(22)2)15-3-4-17(25)16(9-15)24(26,27)28/h3-4,9-12,14H,5-8H2,1-2H3,(H2,29,31,32).
What are the key properties of 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-amine?
6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-amine has a molecular weight of 517.56 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]-5-(2-methyl-1,3-thiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 89445432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).