4-(2,6-Dimethyl-4-(pyridin-4-yl)phenoxy)-6-chloro-1H-pyrazolo[3,4-d]pyrimidine
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Basic information
- Standard SMILES
Cc1cc(-c2ccncc2)cc(C)c1Oc1nc(Cl)nc2[nH]ncc12- InChIKey
NXUALICVDRRDLR-UHFFFAOYSA-N- Molecular formula
- C18H14ClN5O
- Average molar mass
- 351.8 g/mol
Names & identifiers
- Preferred name
- 4-(2,6-Dimethyl-4-(pyridin-4-yl)phenoxy)-6-chloro-1H-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 6-chloro-4-(2,6-dimethyl-4-pyridin-4-ylphenoxy)-1H-pyrazolo[5,4-d]pyrimidine
Names & synonyms
SCHEMBL4100661NXUALICVDRRDLR-UHFFFAOYSA-N4-(2,6-Dimethyl-4-(pyridin-4-yl)phenoxy)-6-chloro-1H-pyrazolo[3,4-d]pyrimidine
Database identifiers
- PubChem CID
- 57747406
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 437
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Related reactions
3 records
Compound notes
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