Deucravacitinib
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
Molecular Identity
Deucravacitinib
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID: 134821691
2D Structure
Properties
C20H22N8O3
Molecular Formula
425.50
Molecular Weight
g/mol
425.2003
Exact Mass
Da
1.2
XLogP
Drug-like (Lipinski: < 5)
136
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
648
Complexity
SMILES
Canonical SMILES
SMILES: CNC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)C4CC4Isomeric SMILES
SMILES: [2H]C([2H])([2H])NC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)C4CC4Synonyms(20)
Deucravacitinib1609392-27-9BMS-986165SotyktuN0A21N6RAURefChem:58358Tyk2-IN-46-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamideBMS986165Deucravacitinib [USAN]MFCD317154556-(cyclopropanecarboxamido)-4-((2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl)amino)-N-(methyl-d3)pyridazine-3-carboxamideDeucravacitinib (BMS-986165)6-[(Cyclopropylcarbonyl)amino]-4-[[2-methoxy-3-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]amino]-N-(methyl-d3)-3-pyridazinecarboxamideTyk2-IN-4(BMS986165)
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Deucravacitinib
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