Basic information
- Standard SMILES
Fc1cnc(N2CCC(Oc3ncnc4c3CCN4c3ccc(Br)cc3F)CC2)nc1- InChIKey
ZRKOAXHSONIVPV-UHFFFAOYSA-N- Molecular formula
- C21H19BrF2N6O
- Average molar mass
- 489.3 g/mol
- Monoisotopic mass
- 488.07718
Names & identifiers
- Preferred name
- 7-(4-Bromo-2-fluorophenyl)-4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine
- IUPAC
- 7-(4-bromo-2-fluorophenyl)-4-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxy-5,6-dihydropyrrolo[2,3-d]pyrimidine
Names & synonyms
SCHEMBL4487002
Database identifiers
- PubChem CID
- 24897883
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 67.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 592
Related reactions
1 records
Compound notes
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