tert-butyl 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate

HCID 86629367

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(n2ncc3c(N4CC5CCC(C4)O5)nc(Cl)nc32)CC1
InChIKey
WBLCQTWORDBLIX-UHFFFAOYSA-N
Molecular formula
C21H29ClN6O3
Average molar mass
448.9 g/mol
Monoisotopic mass
448.1989665

Names & identifiers

Preferred name
tert-butyl 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate
IUPAC
tert-butyl 4-[6-chloro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL56285WBLCQTWORDBLIX-UHFFFAOYSA-Ntert-butyl 4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-chloro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate

Database identifiers

PubChem CID
86629367

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
85.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
31

Related reactions

7 records

Compound notes

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