4-Ethoxy-3-ethyl-1-phenyl-6-(4-piperazin-1-yl-phenyl)-1H-pyrazolo[3,4-b]pyridine

HCID 58483602
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOc1cc(-c2ccc(N3CCNCC3)cc2)nc2c1c(CC)nn2-c1ccccc1
InChIKey
VCHKXXSGERRFPZ-UHFFFAOYSA-N
Molecular formula
C26H29N5O
Average molar mass
427.5 g/mol
Monoisotopic mass
427.23721057

Names & identifiers

Preferred name
4-Ethoxy-3-ethyl-1-phenyl-6-(4-piperazin-1-yl-phenyl)-1H-pyrazolo[3,4-b]pyridine
IUPAC
4-ethoxy-3-ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridine

Names & synonyms

SCHEMBL2551217CHEMBL3666146VCHKXXSGERRFPZ-UHFFFAOYSA-NBDBM130622US8822447, 1024-Ethoxy-3-ethyl-1-phenyl-6-(4-piperazin-1-yl-phenyl)-1H-pyrazolo[3,4-b]pyridine

Database identifiers

PubChem CID
58483602
ChEMBL
CHEMBL3666146

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
55.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
32

Related reactions

1 records
New reaction record

Compound notes

Loading…