About 5-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyrimidine-2-carboxamide
5-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyrimidine-2-carboxamide (PubChem CID 118393510) has the molecular formula C28H17F4N7O2
and a molecular weight of 559.48 g/mol. Its IUPAC name is 5-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyrimidine-2-carboxamide.
Molecular Properties
| Compound Name | 5-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyrimidine-2-carboxamide |
|---|
| PubChem CID | 118393510 |
|---|
| Molecular Formula | C28H17F4N7O2 |
|---|
| Molecular Weight | 559.48 g/mol |
|---|
| Exact Mass | 559.14 |
|---|
| IUPAC Name | 5-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyrimidine-2-carboxamide |
|---|
| SMILES | NC(=O)c1ncc(-c2cnc(-c3ccccc3)c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c2)cn1 |
|---|
| InChI | InChI=1S/C28H17F4N7O2/c29-21-11-20(28(30,31)32)18(25-34-7-4-8-35-25)10-19(21)27(41)39-22-9-16(17-13-37-26(24(33)40)38-14-17)12-36-23(22)15-5-2-1-3-6-15/h1-14H,(H2,33,40)(H,39,41) |
|---|
| InChIKey | SLWUKEMUEDNUNQ-UHFFFAOYSA-N |
|---|
| XLogP | 5.17 |
|---|
| TPSA | 136.64 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 7 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 41 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 559.48 |
| LogP ≤ 5 | 5.17 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 5-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyrimidine-2-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 5-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyrimidine-2-carboxamide?
The IUPAC name of 5-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyrimidine-2-carboxamide (CID 118393510) is 5-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyrimidine-2-carboxamide is NC(=O)c1ncc(-c2cnc(-c3ccccc3)c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c2)cn1.
What is the InChIKey of 5-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyrimidine-2-carboxamide?
The InChIKey is SLWUKEMUEDNUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17F4N7O2/c29-21-11-20(28(30,31)32)18(25-34-7-4-8-35-25)10-19(21)27(41)39-22-9-16(17-13-37-26(24(33)40)38-14-17)12-36-23(22)15-5-2-1-3-6-15/h1-14H,(H2,33,40)(H,39,41).
What are the key properties of 5-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyrimidine-2-carboxamide?
5-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyrimidine-2-carboxamide has a molecular weight of 559.48 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-6-phenyl-3-pyridinyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 118393510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).