Home Amines 685109-25-5
685109-25-5,MFCD03617625
Catalog No.:AA00IUXL

685109-25-5 | 1-methyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

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Technical Information
Catalog Number:
AA00IUXL
Chemical Name:
1-methyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid
CAS Number:
685109-25-5
Molecular Formula:
C16H13F3N4O2
Molecular Weight:
350.2952
MDL Number:
MFCD03617625
SMILES:
OC(=O)c1cnc2c(c1NCc1cccc(c1)C(F)(F)F)cnn2C
Properties
Computed Properties
 
Complexity:
491  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
3.3  

Literature
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SDS
Tags:685109-25-5 Molecular Formula|685109-25-5 MDL|685109-25-5 SMILES|685109-25-5 1-methyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid