Basic information
- Standard SMILES
Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cnc4ccccc4n3)cc2)n1- InChIKey
ZMKCAJWGTIMPTC-UHFFFAOYSA-N- Molecular formula
- C24H19N5O
- Average molar mass
- 393.4 g/mol
Names & identifiers
- Preferred name
- 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
- IUPAC
- 2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline
Names & synonyms
CHEMBL554906SCHEMBL3271443methyl substituted pyrazole, 25SCHEMBL30123323BDBM31604ZMKCAJWGTIMPTC-UHFFFAOYSA-N2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
Database identifiers
- PubChem CID
- 11545641
- ChEMBL
CHEMBL554906
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 534
Related reactions
3 records
Compound notes
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