Basic information
- Standard SMILES
O=C1c2ccccc2C(=O)N1CCOc1n[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12- InChIKey
HQKWSNMALVWOBX-UHFFFAOYSA-N- Molecular formula
- C27H20ClN7O4
- Average molar mass
- 541.9 g/mol
Names & identifiers
- Preferred name
- 2-{2-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]ethyl}-1H-isoindole-1,3(2H)-dione
- IUPAC
- 2-[2-[[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-1H-pyrazolo[5,4-d]pyrimidin-3-yl]oxy]ethyl]isoindole-1,3-dione
Names & synonyms
SCHEMBL1406583HQKWSNMALVWOBX-UHFFFAOYSA-N2-{2-[(4-{[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]ethyl}-1H-isoindole-1,3(2H)-dione
Database identifiers
- PubChem CID
- 11699528
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 846
Related reactions
4 records
Compound notes
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