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Chemical structure of Irsenontrine

GC65911

Irsenontrine

Also known as 7-(2-methoxy-3,5-dimethyl-4-pyridinyl)-1-[(3S)-oxolan-3-yl]-5H-pyrazolo[4,5-c]quinolin-4-one

Irsenontrine (E2027) is an orally active and selective phosphodiesterase 9 (PDE9) inhibitor· Irsenontrine can be used for the research of neurological diseases

ChemicalCAS1429509-82-9MW390.44FormulaC22H22N4O3
CAS number
1429509-82-9
Molecular weight
390.44
Formula
C22H22N4O3
InChIKey
CKJDCNZBABIEBZ-HNNXBMFYSA-N
Catalogue number
GC65911
Brand
GLPBIO
Computed properties PubChem CID 136253996 · XLogP 2.4 · TPSA 78.3 Ų · H-bond donors 1
XLogP
2.4
TPSA
78.3 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
29

SMILES CC1=CN=C(C(=C1C2=CC3=C(C=C2)C4=C(C=NN4[C@H]5CCOC5)C(=O)N3)C)OC

Computed descriptors from PubChem (CID 136253996), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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