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Basic information
- Standard SMILES
COc1cc(C2CC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]nc(Br)c3c2)ccc1Cl- InChIKey
JBXPACMGGQZVDJ-UHFFFAOYSA-N- Molecular formula
- C21H18BrClN4O3
- Average molar mass
- 489.7 g/mol
- Monoisotopic mass
- 488.02508
Names & identifiers
- Preferred name
- N-(3-Bromo-1H-indazol-5-yl)-4-[4-chloro-3-(methyloxy)phenyl]-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxamide
- IUPAC
- N-(3-bromo-2H-indazol-5-yl)-4-(4-chloro-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
Names & synonyms
SCHEMBL3892701JBXPACMGGQZVDJ-UHFFFAOYSA-NN-(3-Bromo-1H-indazol-5-yl)-4-[4-chloro-3-(methyloxy)phenyl]-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxamide
Database identifiers
- PubChem CID
- 57845285
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 96.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 720
Related reactions
4 records
Compound notes
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