Basic information
- Standard SMILES
Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccnc3F)nc2c1- InChIKey
TXLQGRXJJKUSQT-UHFFFAOYSA-N- Molecular formula
- C20H17FN8O2
- Average molar mass
- 420.4 g/mol
- Monoisotopic mass
- 420.14584998
Names & identifiers
- Preferred name
- 4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-fluoro-pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
- IUPAC
- 4-(azetidine-1-carbonyl)-N-[2-(2-fluoro-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
Names & synonyms
SCHEMBL9107060TXLQGRXJJKUSQT-UHFFFAOYSA-NBDBM563872Roche-Dataset for PDE10A, Compound 1864-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-fluoro-pyridin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
Database identifiers
- PubChem CID
- 67775398
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 694
Related reactions
2 records
Compound notes
Loading…