5-methyl-7-neopentyl-3-phenoxy-2-(4-(pyridin-4-yl)benzyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

HCID 54760862
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Basic information

Standard SMILES
Cn1c(=O)c2c(Oc3ccccc3)n(Cc3ccc(-c4ccncc4)cc3)nc2n(CC(C)(C)C)c1=O
InChIKey
USPPSJAJQXIERW-UHFFFAOYSA-N
Molecular formula
C29H29N5O3
Average molar mass
495.6 g/mol

Names & identifiers

Preferred name
5-methyl-7-neopentyl-3-phenoxy-2-(4-(pyridin-4-yl)benzyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
IUPAC
7-(2,2-dimethylpropyl)-5-methyl-3-phenoxy-2-[(4-pyridin-4-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione

Names & synonyms

SCHEMBL7449475USPPSJAJQXIERW-UHFFFAOYSA-N5-methyl-7-neopentyl-3-phenoxy-2-(4-(pyridin-4-yl)benzyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

Database identifiers

PubChem CID
54760862

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
80.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
37

Related reactions

1 records
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Linked notes

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