Basic information
- Standard SMILES
Nc1nc(Nc2cc(F)c(Oc3ccnc4[nH]ccc34)c(F)c2)cc(-c2ccc(F)cc2)n1- InChIKey
HXEWSOAYCDCLGR-UHFFFAOYSA-N- Molecular formula
- C23H15F3N6O
- Average molar mass
- 448.4 g/mol
Names & identifiers
- Preferred name
- N4-[3,5-Difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-(4-fluorophenyl)-pyrimidine-2,4-diamine
- IUPAC
- 4-N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-(4-fluorophenyl)pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL8322600HXEWSOAYCDCLGR-UHFFFAOYSA-NN4-[3,5-Difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-(4-fluorophenyl)-pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 58733331
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 629
Related reactions
2 records
Compound notes
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