About 5-[2-[(5-cyano-2-pyridinyl)amino]ethoxy]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxylic acid
5-[2-[(5-cyano-2-pyridinyl)amino]ethoxy]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxylic acid (PubChem CID 71261770) has the molecular formula C22H15F3N6O3
and a molecular weight of 468.40 g/mol. Its IUPAC name is 5-[2-[(5-cyano-2-pyridinyl)amino]ethoxy]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxylic acid.
Molecular Properties
| Compound Name | 5-[2-[(5-cyano-2-pyridinyl)amino]ethoxy]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxylic acid |
|---|
| PubChem CID | 71261770 |
|---|
| Molecular Formula | C22H15F3N6O3 |
|---|
| Molecular Weight | 468.40 g/mol |
|---|
| Exact Mass | 468.12 |
|---|
| IUPAC Name | 5-[2-[(5-cyano-2-pyridinyl)amino]ethoxy]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxylic acid |
|---|
| SMILES | N#Cc1ccc(NCCOc2nc(-c3ccc(C(F)(F)F)cc3)cc3nc(C(=O)O)cn23)nc1 |
|---|
| InChI | InChI=1S/C22H15F3N6O3/c23-22(24,25)15-4-2-14(3-5-15)16-9-19-29-17(20(32)33)12-31(19)21(30-16)34-8-7-27-18-6-1-13(10-26)11-28-18/h1-6,9,11-12H,7-8H2,(H,27,28)(H,32,33) |
|---|
| InChIKey | PHSXTTPZFAWTHN-UHFFFAOYSA-N |
|---|
| XLogP | 3.87 |
|---|
| TPSA | 125.43 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 34 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 468.40 |
| LogP ≤ 5 | 3.87 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Analyze 5-[2-[(5-cyano-2-pyridinyl)amino]ethoxy]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxylic acid 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-[2-[(5-cyano-2-pyridinyl)amino]ethoxy]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-[2-[(5-cyano-2-pyridinyl)amino]ethoxy]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxylic acid (CID 71261770) is 5-[2-[(5-cyano-2-pyridinyl)amino]ethoxy]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-[2-[(5-cyano-2-pyridinyl)amino]ethoxy]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-[2-[(5-cyano-2-pyridinyl)amino]ethoxy]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxylic acid is N#Cc1ccc(NCCOc2nc(-c3ccc(C(F)(F)F)cc3)cc3nc(C(=O)O)cn23)nc1.
What is the InChIKey of 5-[2-[(5-cyano-2-pyridinyl)amino]ethoxy]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The InChIKey is PHSXTTPZFAWTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N6O3/c23-22(24,25)15-4-2-14(3-5-15)16-9-19-29-17(20(32)33)12-31(19)21(30-16)34-8-7-27-18-6-1-13(10-26)11-28-18/h1-6,9,11-12H,7-8H2,(H,27,28)(H,32,33).
What are the key properties of 5-[2-[(5-cyano-2-pyridinyl)amino]ethoxy]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxylic acid?
5-[2-[(5-cyano-2-pyridinyl)amino]ethoxy]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxylic acid has a molecular weight of 468.40 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(5-cyano-2-pyridinyl)amino]ethoxy]-7-[4-(trifluoromethyl)phenyl]imidazo[1,2-c]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 71261770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).