Basic information
- Standard SMILES
CN1C(=O)NC(=Cc2cnn3c(NC4CC4)cc(Nc4ccc(C#N)cc4)nc23)C1=O- InChIKey
FYVUMRWLVSWAKZ-UHFFFAOYSA-N- Molecular formula
- C21H18N8O2
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 414.15527185
Names & identifiers
- IUPAC
- 4-[[7-(cyclopropylamino)-3-[(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzonitrile
Database identifiers
- PubChem CID
- 67253090
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 809
Related reactions
1 records
Compound notes
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