Basic information
- Standard SMILES
C[C@@H]1CN(c2ncc(C3CC3)cn2)CC[C@@H]1Oc1cc(=O)n(-c2ccc(C#N)c(F)c2)cc1Cl- InChIKey
PUVAOZONWHKKLZ-QRQCRPRQSA-N- Molecular formula
- C25H23ClFN5O2
- Average molar mass
- 479.9 g/mol
Names & identifiers
- Preferred name
- cis-4-(5-chloro-4-(1-(5-cyclopropylpyrimidin-2-yl)-3-methylpiperidin-4-yloxy)-2-oxopyridin-1(2H)-yl)-2-fluorobenzonitrile
- IUPAC
- 4-[5-chloro-4-[(3R,4S)-1-(5-cyclopropylpyrimidin-2-yl)-3-methylpiperidin-4-yl]oxy-2-oxo-1-pyridinyl]-2-fluorobenzonitrile
Names & synonyms
SCHEMBL2541769PUVAOZONWHKKLZ-QRQCRPRQSA-Ncis-4-(5-chloro-4-(1-(5-cyclopropylpyrimidin-2-yl)-3-methylpiperidin-4-yloxy)-2-oxopyridin-1(2H)-yl)-2-fluorobenzonitrile
Database identifiers
- PubChem CID
- 67445202
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 891
Related reactions
1 records
Compound notes
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