N-(3-methoxyphenyl)-1-methyl-6-(quinolin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

HCID 44181587
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Basic information

Standard SMILES
COc1cccc(Nc2nc(-c3cccc4ncccc34)nc3c2cnn3C)c1
InChIKey
ZOSMCDDJDCGIQT-UHFFFAOYSA-N
Molecular formula
C22H18N6O
Average molar mass
382.4 g/mol
Monoisotopic mass
382.15420922

Names & identifiers

Preferred name
N-(3-methoxyphenyl)-1-methyl-6-(quinolin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
IUPAC
N-(3-methoxyphenyl)-1-methyl-6-quinolin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine

Names & synonyms

SCHEMBL2191664ZOSMCDDJDCGIQT-UHFFFAOYSA-NN-(3-methoxyphenyl)-1-methyl-6-(quinolin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Database identifiers

PubChem CID
44181587

Properties

Computed structural properties

XLogP
4
Topological polar surface area
77.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
29

Related reactions

1 records
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Compound notes

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