Gusacitinib
2-[1-[4-[4-(4-hydroxypiperidin-1-yl)anilino]-5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl]piperidin-4-yl]acetonitrile
Molecular Identity
Gusacitinib
2-[1-[4-[4-(4-hydroxypiperidin-1-yl)anilino]-5-oxo-6H-pyrimido[4,5-d]pyridazin-2-yl]piperidin-4-yl]acetonitrile
PubChem CID: 71269142
2D Structure
Properties
C24H28N8O2
Molecular Formula
460.50
Molecular Weight
g/mol
460.2335
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
130
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
9
H-Bond Acceptors
775
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Gusacitinib1425381-60-7ASN-002ASN002EN33514801QYW816EN-33511-(4-(4-(4-Hydroxy-piperidin-1-yl)-phenylamino)-5-oxo-5,6-dihydro-pyrimido(4,5-D)pyridazin-2-yl)-piperidin-4-YL-acetonitrile4-Piperidineacetonitrile, 1-(5,6-dihydro-4-((4-(4-hydroxy-1-piperidinyl)phenyl)amino)-5-oxopyrimido(4,5-d)pyridazin-2-yl)-gusacitinibum2-(1-(4-((4-(4-hydroxypiperidin-1-yl)phenyl)amino)-5-oxo-5H,6H-pyrimido(4,5-d)pyridazin-2-yl)piperidin-4-yl)acetonitrile2-[1-(4-{[4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5-oxo-5H,6H-pyrimido[4,5-d]pyridazin-2-yl)piperidin-4-yl]acetonitrileRefChem:783278Gusacitinib [INN]Gusacitinib [USAN]
Data from PubChem (NCBI)
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