Basic information
- Standard SMILES
O=C(NC(Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ncc2[nH]1- InChIKey
QHKYOEZNQSPNHW-UHFFFAOYSA-N- Molecular formula
- C22H22ClFN4O3
- Average molar mass
- 444.9 g/mol
- Monoisotopic mass
- 444.1364464
Names & identifiers
- Preferred name
- 5-chloro-N-[3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
- IUPAC
- 5-chloro-N-[3-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
Names & synonyms
PSN-357
Database identifiers
- PubChem CID
- 73065796
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 98.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 640
Related reactions
3 records
Compound notes
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