6-(1h-Indazol-4-yl)-4-(3-methoxyphenoxy)-1-methyl-1h-pyrazolo[3,4-d]pyrimidine
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Basic information
- Standard SMILES
COc1cccc(Oc2nc(-c3cccc4[nH]ncc34)nc3c2cnn3C)c1- InChIKey
STILIRUUEKIRSJ-UHFFFAOYSA-N- Molecular formula
- C20H16N6O2
- Average molar mass
- 372.4 g/mol
Names & identifiers
- Preferred name
- 6-(1h-Indazol-4-yl)-4-(3-methoxyphenoxy)-1-methyl-1h-pyrazolo[3,4-d]pyrimidine
- IUPAC
- 6-(1H-indazol-4-yl)-4-(3-methoxyphenoxy)-1-methylpyrazolo[5,4-d]pyrimidine
Names & synonyms
SCHEMBL2194146STILIRUUEKIRSJ-UHFFFAOYSA-N6-(1h-indazol-4-yl)-4-(3-methoxyphenoxy)-1-methyl-1h-pyrazolo[3,4-d]pyrimidine
Database identifiers
- PubChem CID
- 44181585
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 539
Related reactions
1 records
Compound notes
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