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4-[3-(2-Methoxy-phenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-benzamide (HCID 178485299)|Huagongshe
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Compound
4-[3-(2-Methoxy-phenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-benzamide
HCID
178485299
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CNC(=O)c1ccc(-c2cnc3[nH]nc(-c4ccccc4OC)c3c2)cc1
InChIKey
HWFLAQFEFOHCAU-UHFFFAOYSA-N
Molecular formula
C21H18N4O2
Average molar mass
358.4 g/mol
Monoisotopic mass
358.14297583
Names & identifiers
Preferred name
4-[3-(2-Methoxy-phenyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-N-methyl-benzamide
IUPAC
4-[3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-methylbenzamide
Database identifiers
PubChem CID
59836085
Properties
Computed structural properties
XLogP
3.4
Topological polar surface area
79.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Formal charge
0
Complexity
508
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Related reactions
5 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
272042
As product
uspto-grants-2008_11
HRID
686309
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
1171124
As product
uspto-grants-2010_11
HRID
1865612
As product
uspto-grants-2009_12
HRID
2388950
As product
uspto-grants-2012_09
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Compound notes
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