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Basic information
- Standard SMILES
CC(C)(C#N)c1cccc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)c5cocn5)nn4c3)c2)c1- InChIKey
RRMIPSVLXGZWST-UHFFFAOYSA-N- Molecular formula
- C27H21N7O4
- Average molar mass
- 507.5 g/mol
- Monoisotopic mass
- 507.16550218
Names & identifiers
- Preferred name
- N-{6-[3-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)phenoxy][1,2,4]triazolo[1,5-a]pyridin-2-yl}-1,3-oxazole-4-carboxamide
- IUPAC
- N-[6-[3-[[3-(2-cyanopropan-2-yl)benzoyl]amino]phenoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,3-oxazole-4-carboxamide
Names & synonyms
SCHEMBL4288949RRMIPSVLXGZWST-UHFFFAOYSA-NN-{6-[3-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)phenoxy][1,2,4]triazolo[1,5-a]pyridin-2-yl}-1,3-oxazole-4-carboxamide
Database identifiers
- PubChem CID
- 57749182
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 907
Related reactions
2 records
Compound notes
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