Povorcitinib
4-[3-(cyanomethyl)-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazol-1-yl]azetidin-1-yl]-2,5-difluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
Molecular Identity
Povorcitinib
4-[3-(cyanomethyl)-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazol-1-yl]azetidin-1-yl]-2,5-difluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
PubChem CID: 86280672
2D Structure
Properties
C23H22F5N7O
Molecular Formula
507.50
Molecular Weight
g/mol
507.1806
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
103
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
860
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=NN1)C)C2=CN(N=C2)C3(CN(C3)C4=C(C=C(C(=C4)F)C(=O)NC(C)C(F)(F)F)F)CC#NIsomeric SMILES
SMILES: CC1=C(C(=NN1)C)C2=CN(N=C2)C3(CN(C3)C4=C(C=C(C(=C4)F)C(=O)N[C@@H](C)C(F)(F)F)F)CC#NSynonyms(20)
Povorcitinib1637677-22-5Povorcitinib [INN]N0JWC7RO004-[3-(cyanomethyl)-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazol-1-yl]azetidin-1-yl]-2,5-difluoro-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamidecompound 7 [US20210238168A1](S)-4-(3-(Cyanomethyl)-3-(3',5'-dimethyl-1H,1'H-(4,4'-bipyrazol)-1-yl)azetidin-1-yl)-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide(S)-4-(3-(Cyanomethyl)-3-(3',5'-dimethyl-1H,1'H-[4,4'-bipyrazol]-1-yl)azetidin-1-yl)-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide4-(3-(Cyanomethyl)-3-(3',5'-dimethyl-1H,1'H-4,4'-bipyrazol-1-yl)azetidin-1-yl)-2,5-difluoro-N-((1S)-2,2,2-trifluoro-1-methylethyl)benzamide4-[3-(Cyanomethyl)-3-(3',5'-dimethyl-1H,1'H-4,4'-bipyrazol-1-yl)azetidin-1-yl]-2,5-difluoro-N-[(1S)-2,2,2-trifluoro-1-methylethyl]benzamideBenzamide, 4-(3-(cyanomethyl)-3-(3',5'-dimethyl(4,4'-bi-1H-pyrazol)-1-yl)-1-azetidinyl)-2,5-difluoro-N-((1S)-2,2,2-trifluoro-1-methylethyl)-compound 7 (US20210238168A1)4-(3-(cyanomethyl)-3-(4-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazol-1-yl)azetidin-1-yl)-2,5-difluoro-N-((2S)-1,1,1-trifluoropropan-2-yl)benzamideBenzamide, 4-[3-(cyanomethyl)-3-(3',5'-dimethyl[4,4'-bi-1H-pyrazol]-1-yl)-1-azetidinyl]-2,5-difluoro-N-[(1S)-2,2,2-trifluoro-1-methylethyl]-RefChem:175659
Data from PubChem (NCBI)
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