Basic information
- Standard SMILES
CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(-c3ccccc3OC)nc2c1- InChIKey
NHVLCCCRJOIINZ-UHFFFAOYSA-N- Molecular formula
- C21H20N6O4
- Average molar mass
- 420.4 g/mol
Names & identifiers
- Preferred name
- 5-[2-(2-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
- IUPAC
- ethyl 5-[[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamoyl]-1-methylpyrazole-4-carboxylate
Names & synonyms
SCHEMBL9107517NHVLCCCRJOIINZ-UHFFFAOYSA-NBDBM563906Roche-Dataset for PDE10A, Compound 2205-[2-(2-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 67775649
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 651
Related reactions
2 records
Compound notes
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