4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine

HCID 67161981
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Basic information

Standard SMILES
Cc1nc(N2CCN(c3cc(Cl)ccc3C)CC2)c2cn[nH]c2n1
InChIKey
PRVDHIXOOBBJFD-UHFFFAOYSA-N
Molecular formula
C17H19ClN6
Average molar mass
342.8 g/mol
Monoisotopic mass
342.1359723

Names & identifiers

Preferred name
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine
IUPAC
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine

Names & synonyms

SCHEMBL1790579CHEMBL2012590

Database identifiers

PubChem CID
67161981
ChEMBL
CHEMBL2012590

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
60.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
24

Related reactions

1 records
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Compound notes

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