Basic information
- Standard SMILES
COc1ccc(-n2ncc(C(=O)Nc3ccc(N4CCC(N5CCOCC5)CC4)c(C#N)c3)c2C)cc1- InChIKey
DSOCKOXBEPBWMB-UHFFFAOYSA-N- Molecular formula
- C28H32N6O3
- Average molar mass
- 500.6 g/mol
- Monoisotopic mass
- 500.2535889
Names & identifiers
- Preferred name
- N-[3-Cyano-4-(4-morpholinopiperidin-1-yl)phenyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
- IUPAC
- N-[3-cyano-4-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
Names & synonyms
SCHEMBL6052485DSOCKOXBEPBWMB-UHFFFAOYSA-NN-[3-Cyano-4-(4-morpholinopiperidin-1-yl)phenyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
Database identifiers
- PubChem CID
- 22227976
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 797
Related reactions
2 records
Compound notes
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