Basic information
- Standard SMILES
Cn1ncc(C(=O)O)c1C(=O)Nc1ccc2nc(N3CCCC3)nn2c1- InChIKey
IQQPBIRCXAOHAV-UHFFFAOYSA-N- Molecular formula
- C16H17N7O3
- Average molar mass
- 355.35 g/mol
- Monoisotopic mass
- 355.13928743
Names & identifiers
- Preferred name
- 1-Methyl-5-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-6-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-methyl-5-[(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)carbamoyl]pyrazole-4-carboxylic acid
Names & synonyms
SCHEMBL14811618IQQPBIRCXAOHAV-UHFFFAOYSA-N1-Methyl-5-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-6-ylcarbamoyl)-1H-pyrazole-4-carboxylic acid
Database identifiers
- PubChem CID
- 89464028
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 556
Related reactions
6 records
Compound notes
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