N-[6-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]norbornan-2-yl]pyrrolidine-1-carboxamide
Basic information
- Standard SMILES
O=C(NC1CC2CC(Nc3nc(-c4c[nH]c5ncc(F)cc45)ncc3F)C1C2)N1CCCC1- InChIKey
AXENETCZJZAEMY-UHFFFAOYSA-N- Molecular formula
- C23H25F2N7O
- Average molar mass
- 453.5 g/mol
- Monoisotopic mass
- 453.20886477
Names & identifiers
- Preferred name
- N-[6-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]norbornan-2-yl]pyrrolidine-1-carboxamide
- IUPAC
- N-[6-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-bicyclo[2.2.1]heptanyl]pyrrolidine-1-carboxamide
Names & synonyms
SCHEMBL2125196AXENETCZJZAEMY-UHFFFAOYSA-NN-[6-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]norbornan-2-yl]pyrrolidine-1-carboxamide
Database identifiers
- PubChem CID
- 67285331
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 725
Related reactions
2 records
Compound notes
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