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methyl 3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate - 97%, high purity
Basic Description
Synonyms
methyl 3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate | 1150618-05-5 | methyl 3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate | Methyl 3-methyl-1H-pyrazolo-[3,4-b]pyridine-5-carboxylate | 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 3-methyl-, methyl ester |
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrazolopyridines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazolopyridines
Alternative Parents
Pyridinecarboxylic acids Pyrazoles Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Azole - Pyrazole - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazolopyridines. These are compounds containing a pyrazolopyridine skeleton, which consists of a pyrazole fused to a pyridine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyridine is a 6-membered ring with four carbon and one nitrogen atoms.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
methyl 3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
INCHI
InChI=1S/C9H9N3O2/c1-5-7-3-6(9(13)14-2)4-10-8(7)12-11-5/h3-4H,1-2H3,(H,10,11,12)
InChIKey
YJXJLESRRZVQPW-UHFFFAOYSA-N
Smiles
CC1=C2C=C(C=NC2=NN1)C(=O)OC
Isomeric SMILES
CC1=C2C=C(C=NC2=NN1)C(=O)OC
PubChem CID
40151910
Molecular Weight
191.19
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
191.190 g/mol
XLogP3
1.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
191.069 Da
Monoisotopic Mass
191.069 Da
Topological Polar Surface Area
67.900 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
234.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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