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Basic information
- Standard SMILES
COC(=O)Cc1ccc(Oc2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)cc1- InChIKey
AMJKBJHOLHVMJE-UHFFFAOYSA-N- Molecular formula
- C24H18BrN5O3
- Average molar mass
- 504.3 g/mol
- Monoisotopic mass
- 503.0593
Names & identifiers
- Preferred name
- Methyl 2-(4-(7-amino-6-bromo-3-(quinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yloxy)phenyl)acetate
- IUPAC
- methyl 2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)oxyphenyl]acetate
Names & synonyms
SCHEMBL2679517AMJKBJHOLHVMJE-UHFFFAOYSA-Nmethyl 2-(4-(7-amino-6-bromo-3-(quinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yloxy)phenyl)acetate
Database identifiers
- PubChem CID
- 67494274
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 678
Related reactions
4 records
Compound notes
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