5-bromo-N-{6-[5-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)-2-methylphenoxy][1,2,4]triazolo[1,5-a]pyridin-2-yl}pyridine-3-carboxamide
Basic information
- Standard SMILES
Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(NC(=O)c3cncc(Br)c3)nn2c1- InChIKey
BTRUWQOYTBLCIO-UHFFFAOYSA-N- Molecular formula
- C30H24BrN7O3
- Average molar mass
- 610.5 g/mol
- Monoisotopic mass
- 609.1124
Names & identifiers
- Preferred name
- 5-bromo-N-{6-[5-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)-2-methylphenoxy][1,2,4]triazolo[1,5-a]pyridin-2-yl}pyridine-3-carboxamide
- IUPAC
- 5-bromo-N-[6-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carboxamide
Names & synonyms
SCHEMBL4281856BTRUWQOYTBLCIO-UHFFFAOYSA-N5-bromo-N-{6-[5-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)-2-methylphenoxy][1,2,4]triazolo[1,5-a]pyridin-2-yl}pyridine-3-carboxamide
Database identifiers
- PubChem CID
- 57749198
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 988
Related reactions
2 records
Compound notes
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