Dezapelisib
6-(3-fluorophenyl)-3-methyl-7-[(1S)-1-(7H-purin-6-ylamino)ethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Molecular Identity
Dezapelisib
6-(3-fluorophenyl)-3-methyl-7-[(1S)-1-(7H-purin-6-ylamino)ethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID: 58111426
2D Structure
Properties
C20H16FN7OS
Molecular Formula
421.50
Molecular Weight
g/mol
421.1121
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
124
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
815
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CSC2=NC(=C(C(=O)N12)C3=CC(=CC=C3)F)C(C)NC4=NC=NC5=C4NC=N5Isomeric SMILES
SMILES: CC1=CSC2=NC(=C(C(=O)N12)C3=CC(=CC=C3)F)[C@H](C)NC4=NC=NC5=C4NC=N5Synonyms(20)
DezapelisibDezapelisib [USAN]INCB0400932K59L7G59MUNII-2K59L7G59MDEZAPELISIB [INN]DEZAPELISIB [WHO-DD]INCB40093INCB 40093INCB-040093Dezapelisib (USAN)5H-Thiazolo(3,2-a)pyrimidin-5-one, 6-(3-fluorophenyl)-3-methyl-7-((1S)-1-(9H-purin-6-ylamino)ethyl)-6-(3-fluorophenyl)-3-methyl-7-[(1S)-1-(7H-purin-6-ylamino)ethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-oneexample 15 [WO2011008487]compound 67 [PMID: 22924688]
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dezapelisib
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