642459-03-8,MFCD00082584
Catalog No.:AA00IMNL

642459-03-8 | 6-Chloro-n-phenylpyrazin-2-amine

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  • Technical Information
  • Properties
  • Literature
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Technical Information
Catalog Number:
AA00IMNL
Chemical Name:
6-Chloro-n-phenylpyrazin-2-amine
CAS Number:
642459-03-8
Molecular Formula:
C10H8ClN3
Molecular Weight:
205.6436
MDL Number:
MFCD00082584
SMILES:
Clc1cncc(n1)Nc1ccccc1
Properties
Computed Properties
 
Complexity:
171  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Literature

Title: Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design.

Journal: Journal of medicinal chemistry 20080828

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Tags:642459-03-8 Molecular Formula|642459-03-8 MDL|642459-03-8 SMILES|642459-03-8 6-Chloro-n-phenylpyrazin-2-amine
Catalog No.: AA00IMNL
642459-03-8,MFCD00082584
642459-03-8 | 6-Chloro-n-phenylpyrazin-2-amine
This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.
Inquire
Technical Information
Catalog Number: AA00IMNL
Chemical Name: 6-Chloro-n-phenylpyrazin-2-amine
CAS Number: 642459-03-8
Molecular Formula: C10H8ClN3
Molecular Weight: 205.6436
MDL Number: MFCD00082584
SMILES: Clc1cncc(n1)Nc1ccccc1
Properties
Complexity: 171  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Literature fold

Title: Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design.

Journal: Journal of medicinal chemistry20080828

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