Basic information
- Standard SMILES
FC(F)(F)Oc1ccc(Nc2ncc(COc3ccc4c(c3)c(C(F)(F)F)nn4C3CCCCO3)cn2)cc1- InChIKey
IXEFUCKCAGRWIO-UHFFFAOYSA-N- Molecular formula
- C25H21F6N5O3
- Average molar mass
- 553.5 g/mol
Names & identifiers
- Preferred name
- 5-(((1-(tetrahydro-2H-pyran-2-yl)-3-(trifluoromethyl)-1H-indazol-5-yl)oxy)methyl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-2-amine
- IUPAC
- 5-[[1-(oxan-2-yl)-3-(trifluoromethyl)indazol-5-yl]oxymethyl]-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
Names & synonyms
5-(((1-(tetrahydro-2H-pyran-2-yl)-3-(trifluoromethyl)-1H-indazol-5-yl)oxy)methyl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-2-amineSCHEMBL14800005
Database identifiers
- PubChem CID
- 86679741
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 776
Related reactions
2 records
Compound notes
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