Basic information
- Standard SMILES
CC(C)(C)NC(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12- InChIKey
KGXJJZLPOKXQBF-QGZVFWFLSA-N- Molecular formula
- C21H24F2N6O
- Average molar mass
- 414.5 g/mol
Names & identifiers
- Preferred name
- (R)-1-tert-butyl-3-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)urea
- IUPAC
- 1-tert-butyl-3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]urea
Names & synonyms
SCHEMBL2237438CHEMBL4113828SCHEMBL30534197KGXJJZLPOKXQBF-QGZVFWFLSA-NBDBM136586US8865698, 3(R)-1-tert-butyl-3-(5-(2-(2, 5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)urea(R)-1-tert-butyl-3-(5-(2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)urea
Database identifiers
- PubChem CID
- 46188752
- ChEMBL
CHEMBL4113828
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 617
Related reactions
4 records
Compound notes
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