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1-tert-butyl-6-pyridin-4-yl-3-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one (HCID 178448765)|Huagongshe
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Compound
1-tert-butyl-6-pyridin-4-yl-3-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
HCID
178448765
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Reactions
Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CC(C)(C)n1[nH]c(Cc2ccncc2)c2c(=O)nc(-c3ccncc3)nc1-2
InChIKey
TUYGUQQLHKCJOX-UHFFFAOYSA-N
Molecular formula
C20H20N6O
Average molar mass
360.4 g/mol
Monoisotopic mass
360.16985928
Names & identifiers
IUPAC
1-tert-butyl-6-pyridin-4-yl-3-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
Database identifiers
PubChem CID
19432826
Properties
Computed structural properties
XLogP
2
Topological polar surface area
82.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
27
Formal charge
0
Complexity
690
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
487308
As product
uspto-grants-1994_03
HRID
1736596
As product
uspto-grants-1996_07
Compound notes
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