(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
Basic information
- Standard SMILES
Cn1nc(C(F)(F)C(F)(F)F)c2c1CCN(C(=O)C[C@H](N)Cc1cc(F)ccc1F)C2- InChIKey
LLHCCPGFNMJEGP-GFCCVEGCSA-N- Molecular formula
- C19H19F7N4O
- Average molar mass
- 452.4 g/mol
- Monoisotopic mass
- 452.14470838
Names & identifiers
- Preferred name
- (3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
- IUPAC
- (3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
Names & synonyms
pyrazolopiperidine 54CHEMBL369894BDBM11952DTXSID001348538(3R)-3-amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one(3R)-3-Amino-4-(2,5-difluorophenyl)-1-[1-methyl-3-(perfluoroethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
Database identifiers
- PubChem CID
- 23645926
- DTXSID
DTXSID001348538- ChEMBL
CHEMBL369894
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 649
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Compound notes
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