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Basic information
- Standard SMILES
Nc1nc(Nc2ccc(Oc3ccnc4[nH]cc(Cl)c34)c(F)c2)cc(C(F)(F)F)n1- InChIKey
SZUJBLNDOWRMJP-UHFFFAOYSA-N- Molecular formula
- C18H11ClF4N6O
- Average molar mass
- 438.8 g/mol
- Monoisotopic mass
- 438.0618993
Names & identifiers
- Preferred name
- N4-{4-[(3-Chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorophenyl}-6-(trifluoromethyl)pyrimidine-2,4-diamine
- IUPAC
- 4-N-[4-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorophenyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
Names & synonyms
N4-{4-[(3-Chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-3-fluorophenyl}-6-(trifluoromethyl)pyrimidine-2,4-diamineSCHEMBL14176464
Database identifiers
- PubChem CID
- 11611897
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 589
Related reactions
2 records
Compound notes
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