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6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1，5-a]pyrimidine - ≥97%, high purity , CAS No.216661-72-2

COA

Grade & Purity:

≥97%

Cas Number: 216661-72-2
Molecular Weight: 302.3
PubChem CID: 5329458

In stock

Item Number

P709665

Grouped product items
SKU	Size	Availability	Price
P709665-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$372.90
P709665-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$557.90
P709665-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,393.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrimidines
Alternative Parents	Pyrazolylpyridines Pyrazolo[1,5-a]pyrimidines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	5-phenylpyrimidine - 3-pyrazolylpyridine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Azacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

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	6-(4-methoxyphenyl)-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
INCHI	InChI=1S/C18H14N4O/c1-23-16-6-4-13(5-7-16)15-10-20-18-17(11-21-22(18)12-15)14-3-2-8-19-9-14/h2-12H,1H3
InChIKey	KEAIZNUXWMQAGK-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CN=CC=C4)N=C2
Isomeric SMILES	COC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CN=CC=C4)N=C2
PubChem CID	5329458
Molecular Weight	302.3

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	302.300 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	302.117 Da
Monoisotopic Mass	302.117 Da
Topological Polar Surface Area	52.300 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	385.000
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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