N-(4-(Chlorodifluoromethoxy)phenyl)-6-(3-(hydroxymethyl)azetidin-1-yl)-5-(1H-pyrazol-5-yl)nicotinamide
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Basic information
- Standard SMILES
O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC(CO)C2)c(-c2ccn[nH]2)c1- InChIKey
NSJACFBXQYPONP-UHFFFAOYSA-N- Molecular formula
- C20H18ClF2N5O3
- Average molar mass
- 449.8 g/mol
- Monoisotopic mass
- 449.1066235
Names & identifiers
- Preferred name
- N-(4-(Chlorodifluoromethoxy)phenyl)-6-(3-(hydroxymethyl)azetidin-1-yl)-5-(1H-pyrazol-5-yl)nicotinamide
- IUPAC
- N-[4-[chloro(difluoro)methoxy]phenyl]-6-[3-(hydroxymethyl)azetidin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide
Names & synonyms
N-(4-(Chlorodifluoromethoxy)phenyl)-6-(3-(hydroxymethyl)azetidin-1-yl)-5-(1H-pyrazol-5-yl)nicotinamideCHEMBL3911557SCHEMBL15393367BDBM230813US9340537, 67
Database identifiers
- PubChem CID
- 89908249
- ChEMBL
CHEMBL3911557
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 620
Related reactions
1 records
Compound notes
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