4-chloro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine

HCID 22015505
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Basic information

Standard SMILES
Nc1nc(Cl)c2cnn(Cc3ccccc3F)c2n1
InChIKey
ISWQUKINYRPVQK-UHFFFAOYSA-N
Molecular formula
C12H9ClFN5
Average molar mass
277.68 g/mol
Monoisotopic mass
277.0530512

Names & identifiers

Preferred name
4-chloro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
IUPAC
4-chloro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-6-amine

Names & synonyms

SCHEMBL4452564ISWQUKINYRPVQK-UHFFFAOYSA-N4-chloro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine

Database identifiers

PubChem CID
22015505

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
69.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
19

Related reactions

6 records
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Compound notes

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