Basic information
- Standard SMILES
Cc1ccc(NC(=O)C(COCCO)Oc2ncnc3c2cnn3-c2ccccc2Cl)nc1- InChIKey
VGCYPCCVBHHZRN-UHFFFAOYSA-N- Molecular formula
- C22H21ClN6O4
- Average molar mass
- 468.9 g/mol
Names & identifiers
- Preferred name
- 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(2-hydroxyethoxy)-N-(5-methyl-2-pyridinyl)propanamide
- IUPAC
- 2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-(2-hydroxyethoxy)-N-(5-methyl-2-pyridinyl)propanamide
Database identifiers
- PubChem CID
- 76550413
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 634
Related reactions
1 records
Compound notes
Loading…