Basic information
- Standard SMILES
N#Cc1cc(NC(=O)c2cccn2-c2ccc(F)cc2)ccc1N1CCN(CCO)CC1- InChIKey
VPCLSCUZEHUMAQ-UHFFFAOYSA-N- Molecular formula
- C24H24FN5O2
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.19140319
Names & identifiers
- Preferred name
- N-{3-Cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}-1-(4-fluorophenyl)pyrrole-2-carboxamide
- IUPAC
- N-[3-cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1-(4-fluorophenyl)pyrrole-2-carboxamide
Names & synonyms
SCHEMBL6052584VPCLSCUZEHUMAQ-UHFFFAOYSA-NN-{3-Cyano-4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}-1-(4-fluorophenyl)pyrrole-2-carboxamide
Database identifiers
- PubChem CID
- 22228195
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 669
Related reactions
2 records
Compound notes
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