Parsaclisib
(4R)-4-[3-[(1S)-1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]pyrrolidin-2-one
Molecular Identity
Parsaclisib
(4R)-4-[3-[(1S)-1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]pyrrolidin-2-one
PubChem CID: 86677874
2D Structure
Properties
C20H22ClFN6O2
Molecular Formula
432.90
Molecular Weight
g/mol
432.1477
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
108
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
632
Complexity
SMILES
Canonical SMILES
SMILES: CCOC1=C(C(=C(C=C1C(C)N2C3=NC=NC(=C3C(=N2)C)N)Cl)F)C4CC(=O)NC4Isomeric SMILES
SMILES: CCOC1=C(C(=C(C=C1[C@H](C)N2C3=NC=NC(=C3C(=N2)C)N)Cl)F)[C@H]4CC(=O)NC4Synonyms(20)
Parsaclisib1426698-88-5INCB050465INCB-050465OS7097575KWHO 105892-Pyrrolidinone, 4-(3-((1S)-1-(4-amino-3-methyl-1H-pyrazolo(3,4-d)pyrimidin-1-yl)ethyl)-5-chloro-2-ethoxy-6-fluorophenyl)-, (4R)-(4R)-4-(3-((1S)-1-(4-Amino-3-methyl-1H-pyrazolo(3,4-d)pyrimidin-1-yl)ethyl)-5-chloro-2-ethoxy-6-fluorophenyl)pyrrolidin-2-oneIBI376parsaclisibumINCB50465(4R)-4-{3-[(1S)-1-(4-amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl}pyrrolidin-2-oneRefChem:858696INCB 50465INCB-50465
Data from PubChem (NCBI)
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