BI 1015550
[1-[[(5R)-2-[4-(5-chloropyrimidin-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
Molecular Identity
BI 1015550
[1-[[(5R)-2-[4-(5-chloropyrimidin-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanol
PubChem CID: 166177189
2D Structure
Properties
C20H25ClN6O2S
Molecular Formula
449.00
Molecular Weight
g/mol
448.1448
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
123
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
624
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
BI 1015550(1-(((5R)-2-(4-(5-chloropyrimidin-2-yl)piperidin-1-yl)-5-oxo-6,7-dihydrothieno(3,2-d)pyrimidin-4-yl)amino)cyclobutyl)methanol[1-[[(5R)-2-[4-(5-chloropyrimidin-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methanolRefChem:917133nerandomilast1423719-30-5BI-1015550(R)-2-(4-(5-Chloropyrimidin-2-yl)piperidin-1-yl)-4-((1-(hydroxymethyl)cyclobutyl)amino)-6,7-dihydrothieno[3,2-d]pyrimidine 5-oxideJascayd (TN)nerandomilast [INN]I5DGT51IB8NERANDOMILAST [USAN]Nerandomilast (JAN/USAN/INN)GTPL12518YQF2515
Data from PubChem (NCBI)
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