Basic information
- Standard SMILES
Nc1nc(Nc2ccc(Oc3cccc4[nH]ncc34)c(F)c2)cc(-c2ccncc2)n1- InChIKey
MBMQBCHWCMZWAI-UHFFFAOYSA-N- Molecular formula
- C22H16FN7O
- Average molar mass
- 413.4 g/mol
Names & identifiers
- Preferred name
- N-[2-Amino-6-(4-pyridinyl)-4-pyrimidinyl]-N-[3-fluoro-4-(1H-indazol-4-yloxy)phenyl]amine
- IUPAC
- 4-N-[3-fluoro-4-(1H-indazol-4-yloxy)phenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine
Names & synonyms
CHEMBL5722964SCHEMBL2879731MBMQBCHWCMZWAI-UHFFFAOYSA-NN-[2-Amino-6-(4-pyridinyl)-4-pyrimidinyl]-N-[3-fluoro-4-(1H-indazol-4-yloxy)phenyl]amine
Database identifiers
- PubChem CID
- 17979321
- ChEMBL
CHEMBL5722964
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 580
Related reactions
2 records
Compound notes
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