Basic information
- Standard SMILES
CCOc1cc(F)c(Cn2nc(-c3nccc(N(CCO)c4ccncc4)n3)c3ccccc32)c(F)c1- InChIKey
AQLFCBIDRHFZDQ-UHFFFAOYSA-N- Molecular formula
- C27H24F2N6O2
- Average molar mass
- 502.5 g/mol
Names & identifiers
- Preferred name
- 2-[{2-[1-(4-ethoxy-2,6-difluorobenzyl)-1H-indazol-3-yl]pyrimidin-4-yl}(pyridin-4-yl)amino]ethanol
- IUPAC
- 2-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]pyrimidin-4-yl]-pyridin-4-ylamino]ethanol
Names & synonyms
CHEMBL5863333SCHEMBL14843684AQLFCBIDRHFZDQ-UHFFFAOYSA-NBDBM379059US10266548, Example 17-12-[{2-[1-(4-ethoxy-2,6-difluorobenzyl)-1H-indazol-3-yl]pyrimidin-4-yl}(pyridin-4-yl)amino]ethanolPreparation of 2-[{2-[1-(4-ethoxy-2,6-difluorobenzyl)-1H-indazol-3-yl]pyrimidin-4-yl}(pyridin-4-yl)amino]ethanol
Database identifiers
- PubChem CID
- 71554487
- ChEMBL
CHEMBL5863333
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 89.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 692
Related reactions
1 records
Compound notes
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