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

HCID 70095330
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1c(=O)c2c(Cl)n(Cc3ccc(-c4ccncc4)cc3)nc2n(CC(C)(C)C)c1=O
InChIKey
RETIHMQZRJAVIU-UHFFFAOYSA-N
Molecular formula
C23H24ClN5O2
Average molar mass
437.9 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL7448044RETIHMQZRJAVIU-UHFFFAOYSA-N3-chloro-5-methyl-7-neopentyl-2-(4-(pyridin-4-yl)benzyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione

Database identifiers

PubChem CID
70095330

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
71.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
31

Related reactions

2 records
New reaction record

Linked notes

Loading…