![1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid structure](/static/products/6851/685109-25-5.webp)
1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
TL;DR: 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (CAS 685109-25-5) is a chemical compound with molecular formula C16H13F3N4O2 and molecular weight 350.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylic acid
Also Known As: 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid, 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylic acid, 1-methyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid, 1-methyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylicacid, 1-methyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)pyrazolo[3,4-b]pyridine-5-carboxylic acid
| Molecular Formula | C16H13F3N4O2 |
|---|---|
| Molecular Weight | 350.10 g/mol |
| LogP | 3.2974 |
| Topological Polar Surface Area | 80.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.09906 |
| Heavy Atoms | 25 |
| Complexity | 950.1931 |
Chemical Identifiers
| CAS Number | 685109-25-5 |
|---|---|
| SMILES | CN1C2=NC=C(C(=C2C=N1)NCC3=CC(=CC=C3)C(F)(F)F)C(=O)O |
Product Overview
1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (CAS 685109-25-5), with molecular formula C16H13F3N4O2 and molecular weight 350.10 g/mol. IUPAC: 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrazolo[3,4-b]pyridine-5-carboxylic acid.
Chemical Property Profile of 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
Property Insights of 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
The XLogP value of 3.2974 indicates that 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid. Following Lipinski's Rule of Five, 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The CAS number of 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid is 685109-25-5.
What is the molecular formula of 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The molecular formula of 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid is C16H13F3N4O2.
What is the molecular weight of 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
The molecular weight of 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid is 350.10 g/mol.
Where can I buy 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
You can request a quote for 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-4-{[3-(trifluoromethyl)benzyl]amino}-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.