Basic information
- Standard SMILES
Cn1ncc(C(=O)O)c1C(=O)Nc1ccn2nc(-c3cccnc3)nc2c1- InChIKey
WTSMBJNMFQDWIF-UHFFFAOYSA-N- Molecular formula
- C17H13N7O3
- Average molar mass
- 363.3 g/mol
- Monoisotopic mass
- 363.1079873
Names & identifiers
- Preferred name
- 1-methyl-5-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-methyl-5-[(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
Names & synonyms
SCHEMBL9108157WTSMBJNMFQDWIF-UHFFFAOYSA-N1-methyl-5-(2-(pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid1-methyl-5-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid
Database identifiers
- PubChem CID
- 67775950
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 577
Related reactions
12 records
Compound notes
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