Basic information
- Standard SMILES
Cn1cc(C(=O)c2cncc(NC(=O)Cc3cc(F)ccc3C(F)(F)F)c2)c2cncnc21- InChIKey
OLILMRXUNQYFIS-UHFFFAOYSA-N- Molecular formula
- C22H15F4N5O2
- Average molar mass
- 457.4 g/mol
Names & identifiers
- Preferred name
- 2-[5-Fluoro-2-(trifluoromethyl)phenyl]-N-{5-[(7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)carbonyl]pyridin-3-yl}acetamide
- IUPAC
- 2-[5-fluoro-2-(trifluoromethyl)phenyl]-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
Names & synonyms
2-[5-Fluoro-2-(trifluoromethyl)phenyl]-N-{5-[(7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)carbonyl]pyridin-3-yl}acetamideCHEMBL3661561SCHEMBL12985019BDBM134704US8846698, 167
Database identifiers
- PubChem CID
- 70817499
- ChEMBL
CHEMBL3661561
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 89.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 723
Related reactions
1 records
Compound notes
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