Petesicatib
(2S,4R)-N-(1-cyanocyclopropyl)-4-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]sulfonyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide
Molecular Identity
Petesicatib
(2S,4R)-N-(1-cyanocyclopropyl)-4-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]sulfonyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide
PubChem CID: 59543597
2D Structure
Properties
C25H23F6N5O4S
Molecular Formula
603.50
Molecular Weight
g/mol
603.1375
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
134
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
12
H-Bond Acceptors
1230
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=C(C=N1)C2=CC(=C(C=C2)S(=O)(=O)C3CC(N(C3)C(=O)C4(CC4)C(F)(F)F)C(=O)NC5(CC5)C#N)C(F)(F)FIsomeric SMILES
SMILES: CN1C=C(C=N1)C2=CC(=C(C=C2)S(=O)(=O)[C@@H]3C[C@H](N(C3)C(=O)C4(CC4)C(F)(F)F)C(=O)NC5(CC5)C#N)C(F)(F)FSynonyms(20)
Petesicatib1252637-35-6RG7625RG-7625RO-5459072RO5459072(2S,4R)-N-(1-cyanocyclopropyl)-4-[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]sulfonyl-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamideA26QO95U372-Pyrrolidinecarboxamide, N-(1-cyanocyclopropyl)-4-((4-(1-methyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)phenyl)sulfonyl)-1-((1-(trifluoromethyl)cyclopropyl)carbonyl)-, (2S,4R)-petesicatibum(2S,4R)-N-(1-cyanocyclopropyl)-4-(4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl)sulfonyl-1-(1-(trifluoromethyl)cyclopropanecarbonyl)pyrrolidine-2-carboxamideRefChem:172118(2S,4R)-N-(1-cyanocyclopropyl)-4-(4-(1-methyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)benzenesulfonyl)-1-(1-(trifluoromethyl)cyclopropanecarbonyl)pyrrolidine-2-carboxamidePetesicatib [INN]Petesicatib [USAN]
Data from PubChem (NCBI)
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