2-(4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)acetonitrile

HCID 24905166
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Basic information

Standard SMILES
CC(C)n1nc(-c2ccc(CC#N)cc2)c2c(N)ncnc21
InChIKey
PJWDSDGNSMGWKJ-UHFFFAOYSA-N
Molecular formula
C16H16N6
Average molar mass
292.34 g/mol

Names & identifiers

Preferred name
2-(4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)acetonitrile
IUPAC
2-[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]acetonitrile

Names & synonyms

2-(4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)acetonitrileSCHEMBL2439340CHEMBL1240545PJWDSDGNSMGWKJ-UHFFFAOYSA-N

Database identifiers

PubChem CID
24905166
ChEMBL
CHEMBL1240545

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
93.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
22

Related reactions

5 records
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Compound notes

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