Basic information
- Standard SMILES
CC(=O)CCn1cnc(C(=O)N[C@@H](C)Cn2ccc(-c3ccc(C#N)c(Cl)c3)n2)c1- InChIKey
RRHQRXIBDJIPLI-AWEZNQCLSA-N- Molecular formula
- C21H21ClN6O2
- Average molar mass
- 424.9 g/mol
Names & identifiers
- Preferred name
- (S)-N-{1-[3-(3-Chloro-4-cyanophenyl)-1H-pyrazol-1-yl]propan-2-yl}-1-(3-oxobutyl)-1H-imidazole-4-carboxamide
- IUPAC
- N-[(2S)-1-[3-(3-chloro-4-cyanophenyl)pyrazol-1-yl]propan-2-yl]-1-(3-oxobutyl)imidazole-4-carboxamide
Names & synonyms
SCHEMBL12079796RRHQRXIBDJIPLI-AWEZNQCLSA-N(S)-N-{1-[3-(3-Chloro-4-cyanophenyl)-1H-pyrazol-1-yl]propan-2-yl}-1-(3-oxobutyl)-1H-imidazole-4-carboxamide
Database identifiers
- PubChem CID
- 70656134
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 667
Related reactions
3 records
Compound notes
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