6-(1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
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Basic information
- Standard SMILES
COc1cccc(Nc2nc(-c3cccc4[nH]ncc34)nc3c2cnn3C)c1- InChIKey
YKEGMKBGSDKZQJ-UHFFFAOYSA-N- Molecular formula
- C20H17N7O
- Average molar mass
- 371.4 g/mol
Names & identifiers
- Preferred name
- 6-(1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 6-(1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
CHEMBL12571866-(1H-indazol-4-yl)-N-(3-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amineSCHEMBL2192556YKEGMKBGSDKZQJ-UHFFFAOYSA-NBDBM50328076
Database identifiers
- PubChem CID
- 44181707
- ChEMBL
CHEMBL1257186
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 537
Related reactions
1 records
Compound notes
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