Basic information
- Standard SMILES
Nc1nc(Cl)cc(Nc2ccc(Oc3ccnc4[nH]cc(CCO)c34)c(F)c2)n1- InChIKey
NFVJHIFOAAALHF-UHFFFAOYSA-N- Molecular formula
- C19H16ClFN6O2
- Average molar mass
- 414.8 g/mol
Names & identifiers
- Preferred name
- 2-(4-{4-[(2-Amino-6-chloropyrimidin-4-yl)amino]-2-fluorophenoxy}-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol
- IUPAC
- 2-[4-[4-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-fluorophenoxy]-1H-pyrrolo[2,3-b]pyridin-3-yl]ethanol
Names & synonyms
SCHEMBL4765670NFVJHIFOAAALHF-UHFFFAOYSA-N2-(4-{4-[(2-Amino-6-chloropyrimidin-4-yl)amino]-2-fluorophenoxy}-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanol
Database identifiers
- PubChem CID
- 11611368
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 537
Related reactions
2 records
Compound notes
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