Basic information
- Standard SMILES
O=C(O[C@H]1CCOC1)N1CC(Nc2nc(-c3c[nH]c4ncc(Cl)cc34)ncc2F)C1- InChIKey
XQZZISKDBOFWFD-LBPRGKRZSA-N- Molecular formula
- C19H18ClFN6O3
- Average molar mass
- 432.8 g/mol
- Monoisotopic mass
- 432.1112943
Names & identifiers
- Preferred name
- (S)-tetrahydrofuran-3-yl 3-(2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-ylamino)azetidine-1-carboxylate
- IUPAC
- [(3S)-oxolan-3-yl] 3-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]azetidine-1-carboxylate
Names & synonyms
SCHEMBL10006881XQZZISKDBOFWFD-LBPRGKRZSA-N(S)-tetrahydrofuran-3-yl 3-(2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-ylamino)azetidine-1-carboxylate
Database identifiers
- PubChem CID
- 68007196
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 629
Related reactions
1 records
Compound notes
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