Leniolisib
1-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
Molecular Identity
Leniolisib
1-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
PubChem CID: 57495353
Leniolisib is a pyridopyrimidine that is 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine substituted by [(3S)-1-propanoylpyrrolidin-3-yl]amino and 6-methoxy-5-(trifluoromethyl)pyridin-3-yl groups at positions 4 and 6, respectively. It has a role as an EC 2.7.1.153 (phosphatidylinositol-4,5-bisphosphate 3-kinase) inhibitor and an immunomodulator. It is a tertiary carboxamide, a member of pyridines, an aromatic ether, an organofluorine compound, a member of pyrrolidines, a pyridopyrimidine and a secondary amino compound.
2D Structure
Properties
C21H25F3N6O2
Molecular Formula
450.50
Molecular Weight
g/mol
450.1991
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
83.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
654
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Leniolisib1354690-24-6Cdz173 free baseCdz-173 free baseCDZ173-NXleniolisibumCDZ-173-NXL22772Z9CP1-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one1-Propanone, 1-((3S)-3-((5,6,7,8-tetrahydro-6-(6-methoxy-5-(trifluoromethyl)-3-pyridinyl)pyrido(4,3-d)pyrimidin-4-yl)amino)-1-pyrrolidinyl)-1-((3S)-3-((6-(6-methoxy-5-(trifluoromethyl)pyridin-3-yl)-7,8-dihydro-5H-pyrido(4,3-d)pyrimidin-4-yl)amino)pyrrolidin-1-yl)propan-1-oneRefChem:57738(S)-1-(3-((6-(6-methoxy-5-(trifluoromethyl)pyridin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)amino)pyrrolidin-1-yl)propan-1-oneLeniolisib [INN]Leniolisib free base
Data from PubChem (NCBI)
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