Basic information
- Standard SMILES
Cn1nc(N)c2c(-c3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3)cncc21- InChIKey
KADASKLEJDIEGC-UHFFFAOYSA-N- Molecular formula
- C20H16ClFN6O
- Average molar mass
- 410.8 g/mol
Names & identifiers
- Preferred name
- N-[4-(3-amino-1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-(3-chloro-4-fluorophenyl)urea
- IUPAC
- 1-[4-(3-amino-1-methylpyrazolo[3,4-c]pyridin-4-yl)phenyl]-3-(3-chloro-4-fluorophenyl)urea
Names & synonyms
SCHEMBL1702841KADASKLEJDIEGC-UHFFFAOYSA-NN-[4-(3-amino-1-methyl-1H-pyrazolo[3,4-c]pyridin-4-yl)phenyl]-N'-(3-chloro-4-fluorophenyl)urea
Database identifiers
- PubChem CID
- 11517151
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 577
Related reactions
2 records
Compound notes
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