Basic information
- Standard SMILES
COc1ccc(-c2cnc(Nc3cnc(C#N)cn3)cc2NCC2(F)CCNCC2)cc1- InChIKey
PLNZFJBAFYOAJU-UHFFFAOYSA-N- Molecular formula
- C23H24FN7O
- Average molar mass
- 433.5 g/mol
Names & identifiers
- Preferred name
- 5-(4-((4-Fluoropiperidin-4-yl)methylamino)-5-(4-methoxyphenyl)pyridin-2-ylamino)pyrazine-2-carbonitrile
- IUPAC
- 5-[[4-[(4-fluoropiperidin-4-yl)methylamino]-5-(4-methoxyphenyl)-2-pyridinyl]amino]pyrazine-2-carbonitrile
Names & synonyms
SCHEMBL617989PLNZFJBAFYOAJU-UHFFFAOYSA-N5-(4-((4-fluoropiperidin-4-yl)methylamino)-5-(4-methoxyphenyl)pyridin-2-ylamino)pyrazine-2-carbonitrile
Database identifiers
- PubChem CID
- 59613463
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 629
Related reactions
3 records
Compound notes
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