Basic information
- Standard SMILES
CC(C)(O)C#Cc1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCNCC1- InChIKey
BVSIZDQHJCGHDR-UHFFFAOYSA-N- Molecular formula
- C21H25N7O
- Average molar mass
- 391.5 g/mol
- Monoisotopic mass
- 391.21205845
Names & identifiers
- Preferred name
- 5-(5-(3-Hydroxy-3-methylbut-1-ynyl)-4-(piperidin-4-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile
- IUPAC
- 5-[[5-(3-hydroxy-3-methylbut-1-ynyl)-4-(piperidin-4-ylmethylamino)-2-pyridinyl]amino]pyrazine-2-carbonitrile
Names & synonyms
CHEMBL4743137SCHEMBL621128BVSIZDQHJCGHDR-UHFFFAOYSA-NBDBM505553935-(5-(3-Hydroxy-3-methylbut-1-ynyl)-4-(piperidin-4-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile
Database identifiers
- PubChem CID
- 59613386
- ChEMBL
CHEMBL4743137
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 639
Related reactions
3 records
Compound notes
Loading…