Basic information
- Standard SMILES
CC(Nc1nc2c(C=C3NC(=O)NC3=O)cnn2c(NC2CC2)c1C#N)c1cccc(Cl)c1- InChIKey
ZNSOWXGHUKNHQP-UHFFFAOYSA-N- Molecular formula
- C22H19ClN8O2
- Average molar mass
- 462.9 g/mol
- Monoisotopic mass
- 462.1319496
Names & identifiers
- IUPAC
- 5-[1-(3-chlorophenyl)ethylamino]-7-(cyclopropylamino)-3-[(2,5-dioxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
Database identifiers
- PubChem CID
- 67253765
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 870
Related reactions
3 records
Compound notes
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