Basic information
- Standard SMILES
O=C(Nc1ccc(Cl)cn1)[C@H](COCCO)Oc1ncnc2c1cnn2-c1ncccc1Cl- InChIKey
JGFLXCJCQKHWLZ-HNNXBMFYSA-N- Molecular formula
- C20H17Cl2N7O4
- Average molar mass
- 490.3 g/mol
- Monoisotopic mass
- 489.0719074
Names & identifiers
- Preferred name
- (2S)-N-(5-chloropyridin-2-yl)-2-(1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)-3-(2-hydroxyethoxy)propanamide
- IUPAC
- (2S)-N-(5-chloro-2-pyridinyl)-2-[1-(3-chloro-2-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(2-hydroxyethoxy)propanamide
Names & synonyms
SCHEMBL838461CHEMBL3221506JGFLXCJCQKHWLZ-HNNXBMFYSA-N(2S)-N-(5-chloropyridin-2-yl)-2-(1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)-3-(2-hydroxyethoxy)propanamide
Database identifiers
- PubChem CID
- 57504389
- ChEMBL
CHEMBL3221506
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 639
Related reactions
1 records
Compound notes
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