Basic information
- Standard SMILES
CN1Cc2c(nc(-c3ccc(F)cc3)c(-c3ccncc3)c2-c2ccc(Br)s2)N1- InChIKey
JJDYZHXPESIKIZ-UHFFFAOYSA-N- Molecular formula
- C22H16BrFN4S
- Average molar mass
- 467.4 g/mol
Names & identifiers
- Preferred name
- 4-(5-bromothien-2-yl)-6-(4-fluorophenyl)-2-methyl-5-(4-pyridyl)-1H-pyrazolo[3,4-b]pyridine
- IUPAC
- 4-(5-bromothiophen-2-yl)-6-(4-fluorophenyl)-2-methyl-5-pyridin-4-yl-1,3-dihydropyrazolo[3,4-b]pyridine
Names & synonyms
SCHEMBL1386759JJDYZHXPESIKIZ-UHFFFAOYSA-N4-(5-bromothien-2-yl)-6-(4-fluorophenyl)-2-methyl-5-(4-pyridyl)-1H-pyrazolo[3,4-b]pyridine
Database identifiers
- PubChem CID
- 67014875
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 557
Related reactions
2 records
Compound notes
Loading…