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Basic information
- Standard SMILES
Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(NC(=O)c3cscn3)nn2c1- InChIKey
FKCNUEVNXNZCEH-UHFFFAOYSA-N- Molecular formula
- C28H23N7O3S
- Average molar mass
- 537.6 g/mol
- Monoisotopic mass
- 537.15830879
Names & identifiers
- Preferred name
- N-{6-[5-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)-2-methylphenoxy][1,2,4]triazolo[1,5-a]pyridin-2-yl}-1,3-thiazole-4-carboxamide
- IUPAC
- N-[6-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-thiazole-4-carboxamide
Names & synonyms
SCHEMBL4294674FKCNUEVNXNZCEH-UHFFFAOYSA-NN-{6-[5-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)-2-methylphenoxy][1,2,4]triazolo[1,5-a]pyridin-2-yl}-1,3-thiazole-4-carboxamide
Database identifiers
- PubChem CID
- 57749100
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 941
Related reactions
2 records
Compound notes
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