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Basic information
- Standard SMILES
CS(=O)(=O)CCN(Cc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5cccs5)c4)nn4ccccc34)n2)c1)C(=O)C(F)(F)F- InChIKey
XOFJOBKYGWTVPO-UHFFFAOYSA-N- Molecular formula
- C35H30F3N7O4S2
- Average molar mass
- 733.8 g/mol
- Monoisotopic mass
- 733.1752793
Names & identifiers
- Preferred name
- 2,2,2-Trifluoro-N-[2-(methylsulfonyl)ethyl]-N-[(3-{[4-(2-{3-[(2-thienylacetyl)amino]phenyl}pyrazolo[1,5-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenyl)methyl]acetamide
- IUPAC
- 2,2,2-trifluoro-N-(2-methylsulfonylethyl)-N-[[3-[[4-[2-[3-[(2-thiophen-2-ylacetyl)amino]phenyl]pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide
Names & synonyms
2,2,2-Trifluoro-N-[2-(methylsulfonyl)ethyl]-N-[(3-{[4-(2-{3-[(2-thienylacetyl)amino]phenyl}pyrazolo[1,5-a]pyridin-3-yl)-2-pyrimidinyl]amino}phenyl)methyl]acetamideSCHEMBL3544079
Database identifiers
- PubChem CID
- 57737239
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
4 records
Compound notes
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