Basic information
- Standard SMILES
Nc1nc(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)cc(-c2ccc(F)cc2)n1- InChIKey
SDPJMHFXJNSQFE-UHFFFAOYSA-N- Molecular formula
- C23H16F2N6O
- Average molar mass
- 430.4 g/mol
Names & identifiers
- Preferred name
- 6-(4-Fluorophenyl)-N4-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-pyrimidine-2,4-diamine
- IUPAC
- 6-(4-fluorophenyl)-4-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL2882221SDPJMHFXJNSQFE-UHFFFAOYSA-N6-(4-Fluorophenyl)-N4-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 58733245
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 609
Related reactions
2 records
Compound notes
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