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Basic information
- Standard SMILES
CCc1c[nH]c2nccc(Oc3ccc(Nc4cc(Cl)nc(N)n4)cc3F)c12- InChIKey
DKJTZOKDLRHFPT-UHFFFAOYSA-N- Molecular formula
- C19H16ClFN6O
- Average molar mass
- 398.8 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-N4-{4-[(3-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorophenyl}pyrimidine-2,4-diamine
- IUPAC
- 6-chloro-4-N-[4-[(3-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorophenyl]pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL4772131DKJTZOKDLRHFPT-UHFFFAOYSA-N6-Chloro-N4-{4-[(3-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorophenyl}pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 11639894
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 519
Related reactions
2 records
Compound notes
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