![diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr structure](/static/products/802/80262-35-7.png)
diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr
TL;DR: diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr (CAS 80262-35-7) is a chemical compound with molecular formula C22H21N5O4 and molecular weight 419.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-cyano-7-(1-methylindol-3-yl)-4H-pyrazolo[1,5-a]pyrimidine-6,7-dicarboxylate
Also Known As: diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr, diethyl 3-cyano-7-(1-methylindol-3-yl)-4H-pyrazolo[1,5-a]pyrimidine-6,7-dicarboxylate, diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-6,7-dicarboxylate, Diethyl 3-cyano-7-(1-methyl-1H-indol-3-yl)-1,7-dihydropyrazolo[1,5-a]pyrimidine-6,7-dicarboxylate, Pyrazolo[1,5-a]pyrimidine-6,7-dicarboxylic acid, 3-cyano-4,7-dihydro-7-(1-methyl-1H-indol-3-yl)-, diethyl ester
| Molecular Formula | C22H21N5O4 |
|---|---|
| Molecular Weight | 419.16 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.15936 |
| Heavy Atoms | 31 |
| Complexity | 807.0 |
Chemical Identifiers
| CAS Number | 80262-35-7 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=C(C=NN2C1(C3=CN(C4=CC=CC=C43)C)C(=O)OCC)C#N |
| InChIKey | GNBGUUYLWYNIKQ-UHFFFAOYSA-N |
Product Overview
diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr (CAS 80262-35-7), with molecular formula C22H21N5O4 and molecular weight 419.16 g/mol. IUPAC: diethyl 3-cyano-7-(1-methylindol-3-yl)-4H-pyrazolo[1,5-a]pyrimidine-6,7-dicarboxylate.
Chemical Property Profile of diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr
Property Insights of diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr. Following Lipinski's Rule of Five, diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr has 1 hydrogen bond donor(s) and 7 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 diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr?
The CAS number of diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr is 80262-35-7.
What is the molecular formula of diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr?
The molecular formula of diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr is C22H21N5O4.
What is the molecular weight of diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr?
The molecular weight of diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr is 419.16 g/mol.
Where can I buy diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr?
You can request a quote for diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr?
Yes, KEHONG BIO provides custom synthesis services for diethyl 3-cyano-7-(1-methylindol-3-yl)-1H-pyrazolo[1,5-a]pyr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.