tert-Butyl 4-((2-(5-cyanopyrazin-2-ylamino)-5-(3-hydroxy-3-methylbut-1-ynyl)pyridin-4-ylamino)methyl)piperidine-1-carboxylate
Basic information
- Standard SMILES
CC(C)(O)C#Cc1cnc(Nc2cnc(C#N)cn2)cc1NCC1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
WZSVWIZBYRCCFC-UHFFFAOYSA-N- Molecular formula
- C26H33N7O3
- Average molar mass
- 491.6 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-((2-(5-cyanopyrazin-2-ylamino)-5-(3-hydroxy-3-methylbut-1-ynyl)pyridin-4-ylamino)methyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[[[2-[(5-cyanopyrazin-2-yl)amino]-5-(3-hydroxy-3-methylbut-1-ynyl)-4-pyridinyl]amino]methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL619492WZSVWIZBYRCCFC-UHFFFAOYSA-Ntert-Butyl 4-((2-(5-cyanopyrazin-2-ylamino)-5-(3-hydroxy-3-methylbut-1-ynyl)pyridin-4-ylamino)methyl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 59613530
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 857
Related reactions
5 records
Compound notes
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