tert-Butyl 4-((2-(5-cyanopyrazin-2-ylamino)-5-(3-hydroxy-3-methylbut-1-ynyl)pyridin-4-ylamino)methyl)piperidine-1-carboxylate

HCID 59613530

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

Related reactions

5 records

Linked notes

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