Basic information
- Standard SMILES
C[C@@H](NC(=O)Cc1ccc(-c2cnn3ncccc23)cc1)c1ccc(OCC(F)(F)F)cn1- InChIKey
DUFFIOALCYNCEY-OAHLLOKOSA-N- Molecular formula
- C23H20F3N5O2
- Average molar mass
- 455.4 g/mol
- Monoisotopic mass
- 455.15690938
Names & identifiers
- Preferred name
- 2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
- IUPAC
- 2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]ethyl]acetamide
Names & synonyms
CHEMBL21511462-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide2-(4-pyrazolo[1,5-b]pyridazin-3-ylphenyl)-N-{(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl}acetamideSCHEMBL3047816BDBM50392768
Database identifiers
- PubChem CID
- 25242540
- ChEMBL
CHEMBL2151146
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 644
Related reactions
1 records
Compound notes
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