Izencitinib
3-[(1R,5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
Molecular Identity
Izencitinib
3-[(1R,5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
PubChem CID: 124090478
2D Structure
Properties
C22H26N8
Molecular Formula
402.50
Molecular Weight
g/mol
402.2280
Exact Mass
Da
3.2
XLogP
Drug-like (Lipinski: < 5)
106
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
620
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=NN1)NC2=NC(=C3C=CC=NC3=C2)NC4CC5CCC(C4)N5CCC#NIsomeric SMILES
SMILES: CC1=CC(=NN1)NC2=NC(=C3C=CC=NC3=C2)NC4C[C@H]5CC[C@@H](C4)N5CCC#NSynonyms(20)
Izencitinib2051918-33-1TD-1473Izencitinib [INN]Izencitinib [USAN]2ZT81PV5UMTD1473Izencitinib [USAN:INN]UNII-2ZT81PV5UMWHO 111323-((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile8-Azabicyclo(3.2.1)octane-8-propanenitrile, 3-((7-((5-methyl-1H-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-, (3-exo)-3-((3-exo)-3-((7-((5-Methyl-1H-pyrazol-3-yl)amino)-1,6-naphthyridin-5-yl)amino)-8-azabicyclo[3.2.1]octan-8-yl)propanenitrile3-[(1R,5S)-3-[[7-[(5-methyl-1H-pyrazol-3-yl)amino]-1,6-naphthyridin-5-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile3-((1R,3S,5S)-3-((7-((5-METHYL-1H-PYRAZOL-3-YL)AMINO)-1,6-NAPHTHYRIDIN-5-YL)AMINO)-8-AZABICYCLO(3.2.1)OCTAN-8-YL)PROPANENITRILE
Data from PubChem (NCBI)
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Drug Network
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