Basic information
- Standard SMILES
N#Cc1ccc(NC(=O)[C@H](COCCO)Oc2ncnc3c2cnn3-c2ncccc2Cl)nc1- InChIKey
LCRJVNQBJYIWTR-INIZCTEOSA-N- Molecular formula
- C21H17ClN8O4
- Average molar mass
- 480.9 g/mol
- Monoisotopic mass
- 480.1061287
Names & identifiers
- Preferred name
- (2S)-2-(1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)-N-(5-cyanopyridin-2-yl)-3-(2-hydroxyethoxy)propanamide
- IUPAC
- (2S)-2-[1-(3-chloro-2-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-N-(5-cyano-2-pyridinyl)-3-(2-hydroxyethoxy)propanamide
Names & synonyms
SCHEMBL838684CHEMBL3221507LCRJVNQBJYIWTR-INIZCTEOSA-N(2S)-2-(1-(3-chloropyridin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)-N-(5-cyanopyridin-2-yl)-3-(2-hydroxyethoxy)propanamide
Database identifiers
- PubChem CID
- 57504388
- ChEMBL
CHEMBL3221507
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 726
Related reactions
1 records
Compound notes
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