Basic information
- Standard SMILES
NC[C@@H]1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2ccn[nH]2)C[C@@H]1O- InChIKey
WWHCELUOEAHQQN-ACJLOTCBSA-N- Molecular formula
- C21H21ClF2N6O3
- Average molar mass
- 478.9 g/mol
- Monoisotopic mass
- 478.1331726
Names & identifiers
- Preferred name
- 6-(cis-3-(Aminomethyl)-4-hydroxypyrrolidin-1-yl)-N-(4-(chlorodifluoromethoxy)phenyl)-5-(1H-pyrazol-5-yl)nicotinamide
- IUPAC
- 6-[(3R,4R)-3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
Names & synonyms
6-(cis-3-(Aminomethyl)-4-hydroxypyrrolidin-1-yl)-N-(4-(chlorodifluoromethoxy)phenyl)-5-(1H-pyrazol-5-yl)nicotinamideSCHEMBL15393104
Database identifiers
- PubChem CID
- 89908006
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 672
Related reactions
1 records
Compound notes
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