Basic information
- CAS
85723-20-2- Standard SMILES
Cc1nn(C)c(NC(=O)CNCCCN2CCCCC2C)c1C(=O)c1ccccc1F- InChIKey
QUTKAZRSRKFOMI-UHFFFAOYSA-N- Molecular formula
- C23H32FN5O2
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.25400344
Names & identifiers
- Preferred name
- Acetamide, N-(1,3-dimethyl-4-(o-fluorobenzoyl)-5-pyrazolyl)-2-((3-(2-methylpiperidino)propyl)amino)-
- IUPAC
- N-[4-(2-fluorobenzoyl)-1,3-dimethylpyrazol-5-yl]-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
Names & synonyms
PD 108298CHEMBL4506385723-20-2CCRIS 1809BRN 5778648Acetamide, N-(1,3-dimethyl-4-(o-fluorobenzoyl)-5-pyrazolyl)-2-((3-(2-methylpiperidino)propyl)amino)-SCHEMBL11196035DTXSID201006344BDBM50019458N-[4-(2-Fluoro-benzoyl)-2,5-dimethyl-2H-pyrazol-3-yl]-2-[3-(2-methyl-piperidin-1-yl)-propylamino]-acetamideN-[4-(2-Fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]-2-{[3-(2-methylpiperidin-1-yl)propyl]amino}ethanimidic acidN-[4-(2-Fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]{[3-(2-methylpiperidin-1-yl)propyl]amino}ethanimidic acid
Database identifiers
- CAS
85723-20-2- PubChem CID
- 55393
- DTXSID
DTXSID201006344- ChEMBL
CHEMBL45063- Nikkaji
- J325.966H
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 607
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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