![2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile structure](/static/products/4780/478047-23-3.webp)
2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile
TL;DR: 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile (CAS 478047-23-3) is a chemical compound with molecular formula C14H13N5 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile
Also Known As: Bionet2_001335, 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile, 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[3,4-b]pyridin-1-yl)acetonitrile, [4,6-Dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile, 2-(4,6-Dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetonitrile
| Molecular Formula | C14H13N5 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 2.36242 |
| Topological Polar Surface Area | 59.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.1171 |
| Heavy Atoms | 19 |
| Complexity | 774.36926 |
Chemical Identifiers
| CAS Number | 478047-23-3 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C(=NN2CC#N)N3C=CC=C3)C |
Product Overview
2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile (CAS 478047-23-3), with molecular formula C14H13N5 and molecular weight 251.12 g/mol. IUPAC: 2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)acetonitrile.
Chemical Property Profile of 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile
Property Insights of 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile
The XLogP value of 2.36242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile. With a topological polar surface area (TPSA) of 59.43 Ų, 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile has 0 hydrogen bond donor(s) and 3 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 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile?
The CAS number of 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile is 478047-23-3.
What is the molecular formula of 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile?
The molecular formula of 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile is C14H13N5.
What is the molecular weight of 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile?
The molecular weight of 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile is 251.12 g/mol.
Where can I buy 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile?
You can request a quote for 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4,6-dimethyl-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.