benzyl 4-[4-amino-3-(4-amino-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate

HCID 22346984
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(-c2nn(C3CCN(C(=O)OCc4ccccc4)CC3)c3ncnc(N)c23)ccc1N
InChIKey
RZMJDARDUCRXRG-UHFFFAOYSA-N
Molecular formula
C25H27N7O3
Average molar mass
473.5 g/mol
Monoisotopic mass
473.21753775

Names & identifiers

Preferred name
benzyl 4-[4-amino-3-(4-amino-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate
IUPAC
benzyl 4-[4-amino-3-(4-amino-3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL5822928RZMJDARDUCRXRG-UHFFFAOYSA-Nbenzyl 4-[4-amino-3-(4-amino-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate

Database identifiers

PubChem CID
22346984

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
134 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
6
Heavy atoms
35

Related reactions

7 records
New reaction record

Linked notes

Loading…