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Basic information
- Standard SMILES
CC(C)(C)c1nc(N2CCC(F)(F)C2)c2nnn(CC(=O)c3cccnc3)c2n1- InChIKey
AIFBJKPRTMGQKC-UHFFFAOYSA-N- Molecular formula
- C19H21F2N7O
- Average molar mass
- 401.4 g/mol
- Monoisotopic mass
- 401.17756464
Names & identifiers
- Preferred name
- 2-[5-tert-Butyl-7-(3,3-difluoro-pyrrolidin-1-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-1-pyridin 3-yl-ethanone
- IUPAC
- 2-[5-tert-butyl-7-(3,3-difluoropyrrolidin-1-yl)triazolo[4,5-d]pyrimidin-3-yl]-1-pyridin-3-ylethanone
Names & synonyms
2-[5-tert-Butyl-7-(3,3-difluoro-pyrrolidin-1-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-1-pyridin 3-yl-ethanoneSCHEMBL149115492-[5-tert-Butyl-7-(3,3-difluoro-pyrrolidin-1-yl)-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-1-pyridin-3-yl-ethanone
Database identifiers
- PubChem CID
- 86762467
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 614
Related reactions
2 records
Compound notes
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