Seletalisib
N-[(1R)-1-[8-chloro-2-(1-oxidopyridin-1-ium-3-yl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
Molecular Identity
Seletalisib
N-[(1R)-1-[8-chloro-2-(1-oxidopyridin-1-ium-3-yl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID: 56928390
2D Structure
Properties
C23H14ClF3N6O
Molecular Formula
482.80
Molecular Weight
g/mol
482.0870
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
89.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
690
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Seletalisib1362850-20-1UCB5857UCB-585764CW205BDD3-(8-Chloro-3-((1R)-1-((pyrido(3,2-d)pyrimidin-4-yl)amino)-2,2,2-trifluoroethyl)quinolin-2-yl)pyridine N-oxideN-((R)-1-(8-Chloro-2-(1-oxopyridin-3-yl)quinolin-3-yl)-2,2,2-trifluoroethyl)pyrido(3,2-d)pyrimidin-4-ylaminePyrido(3,2-d)pyrimidin-4-amine, N-((1R)-1-(8-chloro-2-(1-oxido-3-pyridinyl)-3-quinolinyl)-2,2,2-trifluoroethyl)-seletalisibum3-(8-chloro-3-((1R)-2,2,2-trifluoro-1-((pyrido(3,2-d)pyrimidin-4-yl)amino)ethyl)quinolin-2-yl)pyridin-1-ium-1-olate3-{8-chloro-3-[(1R)-2,2,2-trifluoro-1-({pyrido[3,2-d]pyrimidin-4-yl}amino)ethyl]quinolin-2-yl}pyridin-1-ium-1-olateRefChem:182320N-(1-(8-chloro-2-(1-oxidopyridin-1-ium-3-yl)-3-quinolyl)-2,2,2-trifluoroethyl)pyrido(3,2-d)pyrimidin-4-amineN-[(1R)-1-[8-chloro-2-(1-oxidopyridin-1-ium-3-yl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine(R)-3-(8-chloro-3-(2,2,2-trifluoro-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl)quinolin-2-yl)pyridine 1-oxide
Data from PubChem (NCBI)
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