Basic information
- Standard SMILES
Nc1nc(Nc2cc(F)c(Oc3ccnc4[nH]ccc34)c(F)c2)cc(-c2ccncc2)n1- InChIKey
YCOYSAITSRZFSJ-UHFFFAOYSA-N- Molecular formula
- C22H15F2N7O
- Average molar mass
- 431.4 g/mol
Names & identifiers
- Preferred name
- N4-[3,5-Difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-pyridin-4-yl-pyrimidine-2,4-diamine
- IUPAC
- 4-N-[3,5-difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine
Names & synonyms
SCHEMBL8322745YCOYSAITSRZFSJ-UHFFFAOYSA-NN4-[3,5-Difluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-6-pyridin-4-yl-pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 58733336
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 601
Related reactions
2 records
Compound notes
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