About 6-(6-acetamidopyrimidin-4-yl)oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
6-(6-acetamidopyrimidin-4-yl)oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (PubChem CID 25157311) has the molecular formula C28H21F3N6O3
and a molecular weight of 546.51 g/mol. Its IUPAC name is 6-(6-acetamidopyrimidin-4-yl)oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.
Molecular Properties
| Compound Name | 6-(6-acetamidopyrimidin-4-yl)oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide |
|---|
| PubChem CID | 25157311 |
|---|
| Molecular Formula | C28H21F3N6O3 |
|---|
| Molecular Weight | 546.51 g/mol |
|---|
| Exact Mass | 546.16 |
|---|
| IUPAC Name | 6-(6-acetamidopyrimidin-4-yl)oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide |
|---|
| SMILES | CC(=O)Nc1cc(Oc2ccc3c(C(=O)Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)cccc3c2)ncn1 |
|---|
| InChI | InChI=1S/C28H21F3N6O3/c1-16-13-37(15-34-16)21-10-19(28(29,30)31)9-20(11-21)36-27(39)24-5-3-4-18-8-22(6-7-23(18)24)40-26-12-25(32-14-33-26)35-17(2)38/h3-15H,1-2H3,(H,36,39)(H,32,33,35,38) |
|---|
| InChIKey | LOZHGYINTLBBSR-UHFFFAOYSA-N |
|---|
| XLogP | 6.15 |
|---|
| TPSA | 111.03 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 40 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 546.51 |
| LogP ≤ 5 | 6.15 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 6-(6-acetamidopyrimidin-4-yl)oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide 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-(6-acetamidopyrimidin-4-yl)oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 6-(6-acetamidopyrimidin-4-yl)oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide (CID 25157311) is 6-(6-acetamidopyrimidin-4-yl)oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-(6-acetamidopyrimidin-4-yl)oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-(6-acetamidopyrimidin-4-yl)oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is CC(=O)Nc1cc(Oc2ccc3c(C(=O)Nc4cc(-n5cnc(C)c5)cc(C(F)(F)F)c4)cccc3c2)ncn1.
What is the InChIKey of 6-(6-acetamidopyrimidin-4-yl)oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is LOZHGYINTLBBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N6O3/c1-16-13-37(15-34-16)21-10-19(28(29,30)31)9-20(11-21)36-27(39)24-5-3-4-18-8-22(6-7-23(18)24)40-26-12-25(32-14-33-26)35-17(2)38/h3-15H,1-2H3,(H,36,39)(H,32,33,35,38).
What are the key properties of 6-(6-acetamidopyrimidin-4-yl)oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide?
6-(6-acetamidopyrimidin-4-yl)oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 546.51 g/mol, XLogP of 6.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-acetamidopyrimidin-4-yl)oxy-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 25157311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).