(5-amino-pyridin-3-yl)-[7-bicyclo[1.1.1]pent-1-yl-2-(4-methoxy-benzylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-methanone

HCID 70817455
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(CNc2ncc3c(C(=O)c4cncc(N)c4)cn(C45CC(C4)C5)c3n2)cc1
InChIKey
WLGIBYDINHBAFX-UHFFFAOYSA-N
Molecular formula
C25H24N6O2
Average molar mass
440.5 g/mol

Names & identifiers

Preferred name
(5-amino-pyridin-3-yl)-[7-bicyclo[1.1.1]pent-1-yl-2-(4-methoxy-benzylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-methanone
IUPAC
(5-amino-3-pyridinyl)-[7-(1-bicyclo[1.1.1]pentanyl)-2-[(4-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-5-yl]methanone

Names & synonyms

SCHEMBL12984917WLGIBYDINHBAFX-UHFFFAOYSA-N(5-amino-pyridin-3-yl)-[7-bicyclo[1.1.1]pent-1-yl-2-(4-methoxy-benzylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-methanone

Database identifiers

PubChem CID
70817455

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
33

Related reactions

2 records
New reaction record

Linked notes

Loading…