Lorpucitinib
2-[3-[4-(cyanomethyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
Molecular Identity
Lorpucitinib
2-[3-[4-(cyanomethyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
PubChem CID: 134611548
2D Structure
Properties
C22H28N6O2
Molecular Formula
408.50
Molecular Weight
g/mol
408.2274
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
120
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
668
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(CNC(=O)CC1=NC2=CN=C3C(=C2N1C4CCC(CC4)CC#N)C=CN3)OIsomeric SMILES
SMILES: CC(C)(CNC(=O)CC1=NC2=CN=C3C(=C2N1C4CCC(CC4)CC#N)C=CN3)OSynonyms(20)
Lorpucitinib2230282-02-5Lorpucitinib [INN]OE1QTY7C25UNII-OE1QTY7C251-(trans-4-(Cyanomethyl)cyclohexyl)-1,6-dihydro-N-(2-hydroxy-2-methylpropyl)imidazo(4,5-d)pyrrolo(2,3-b)pyridine-2-acetamide1-[trans-4-(Cyanomethyl)cyclohexyl]-1,6-dihydro-N-(2-hydroxy-2-methylpropyl)imidazo[4,5-d]pyrrolo[2,3-b]pyridine-2-acetamideImidazo(4,5-d)pyrrolo(2,3-b)pyridine-2-acetamide, 1-(trans-4-(cyanomethyl)cyclohexyl)-1,6-dihydro-N-(2-hydroxy-2-methylpropyl)-2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)-N-(2-hydroxy-2-methylpropyl)acetamide2-[3-[4-(cyanomethyl)cyclohexyl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]-N-(2-hydroxy-2-methylpropyl)acetamideImidazo[4,5-d]pyrrolo[2,3-b]pyridine-2-acetamide, 1-[trans-4-(cyanomethyl)cyclohexyl]-1,6-dihydro-N-(2-hydroxy-2-methylpropyl)-JNJ-64251330orb1687985Lorpucitinib, >98% (HPLC)CHEMBL4473572
Data from PubChem (NCBI)
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