Basic information
- Standard SMILES
O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3Cl)nc12)N1CC[C@@H](O)C1- InChIKey
LIVISHFAOAESEN-RDTXWAMCSA-N- Molecular formula
- C21H22ClFN6O2
- Average molar mass
- 444.9 g/mol
Names & identifiers
- Preferred name
- (R)-N-(5-((R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide
- IUPAC
- (3R)-N-[5-[(2R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide
Names & synonyms
SCHEMBL2240021CHEMBL4112642LIVISHFAOAESEN-RDTXWAMCSA-NBDBM136624US8865698, 41(R)-N-(5-((R)-2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide
Database identifiers
- PubChem CID
- 58386342
- ChEMBL
CHEMBL4112642
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 661
Related reactions
3 records
Compound notes
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