2-(4-(1,1-Dimethylethyl)phenyl)-8-((1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)amino)-1(2H)-phthalazinone

HCID 11625993
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)c1ccc(-n2ncc3cccc(NCc4c[nH]c5ncccc45)c3c2=O)cc1
InChIKey
DURONAZNBKVEJO-UHFFFAOYSA-N
Molecular formula
C26H25N5O
Average molar mass
423.5 g/mol

Names & identifiers

Preferred name
2-(4-(1,1-Dimethylethyl)phenyl)-8-((1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)amino)-1(2H)-phthalazinone
IUPAC
2-(4-tert-butylphenyl)-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)phthalazin-1-one

Names & synonyms

SCHEMBL4716939DURONAZNBKVEJO-UHFFFAOYSA-N2-(4-(1,1-Dimethylethyl)phenyl)-8-((1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)amino)-1(2H)-phthalazinone

Database identifiers

PubChem CID
11625993

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
73.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
32

Related reactions

2 records
New reaction record

Linked notes

Loading…