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Basic information
- Standard SMILES
CCn1nc(-c2ccccn2)c2c1NC(=O)CC2c1ccc(Br)cc1C- InChIKey
YZSMSGFTPRGRLJ-UHFFFAOYSA-N- Molecular formula
- C20H19BrN4O
- Average molar mass
- 411.3 g/mol
- Monoisotopic mass
- 410.07422
Names & identifiers
- Preferred name
- 4-(4-bromo-2-methylphenyl)-1-ethyl-3-(pyridin-2-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
- IUPAC
- 4-(4-bromo-2-methylphenyl)-1-ethyl-3-pyridin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
Names & synonyms
SCHEMBL15813440YZSMSGFTPRGRLJ-UHFFFAOYSA-N4-(4-bromo-2-methylphenyl)-1-ethyl-3-(pyridin-2-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
Database identifiers
- PubChem CID
- 136348446
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 518
Related reactions
1 records
Compound notes
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