Itacitinib adipate
2-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;hexanedioic acid
Molecular Identity
Itacitinib adipate
2-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;hexanedioic acid
PubChem CID: 67390313
2D Structure
Properties
C32H33F4N9O5
Molecular Formula
699.70
Molecular Weight
g/mol
699.2541
Exact Mass
Da
194
TPSA
May have limited oral absorption
3
H-Bond Donors
15
H-Bond Acceptors
1090
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Itacitinib adipate1334302-63-4INCB039110 adipateItacitinib adipate [USAN]INCB-039110 adipateXZG407XE0Y3-azetidineacetonitrile,1-[1-[[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]carbonyl]-4-piperidinyl]-3-[4-(1h-pyrrolo[2,3-b]pyridin-4-yl)-1h-pyrazol-1-yl]-,hexanedioicacidsalt2-[1-[1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile;hexanedioic acidItacitinib adipate?UNII-XZG407XE0Yorb1709391SCHEMBL2392474CHEMBL3707409Itacitinib adipate (JAN/USAN)ITACITINIB ADIPATE [JAN]
Data from PubChem (NCBI)
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