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Basic information
- Standard SMILES
CC(C)(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)CO)nn4c3)c2)c1- InChIKey
MHWUPKCUAGWEQY-UHFFFAOYSA-N- Molecular formula
- C25H22N6O4
- Average molar mass
- 470.5 g/mol
- Monoisotopic mass
- 470.1702532
Names & identifiers
- Preferred name
- 3-(1-cyano-1-methylethyl)-N-[3-({2-[(hydroxyacetyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)phenyl]benzamide
- IUPAC
- 3-(2-cyanopropan-2-yl)-N-[3-[[2-[(2-hydroxyacetyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]benzamide
Names & synonyms
SCHEMBL4288113MHWUPKCUAGWEQY-UHFFFAOYSA-N3-(1-cyano-1-methylethyl)-N-[3-({2-[(hydroxyacetyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)phenyl]benzamide
Database identifiers
- PubChem CID
- 57749281
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 813
Related reactions
1 records
Compound notes
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