Nesuparib
6-[4-[(5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
Molecular Identity
Nesuparib
6-[4-[(5-oxo-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID: 124134768
2D Structure
Properties
C23H24N6O
Molecular Formula
400.50
Molecular Weight
g/mol
400.2012
Exact Mass
Da
1.8
XLogP
Drug-like (Lipinski: < 5)
84.3
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
733
Complexity
SMILES
Canonical SMILES
SMILES: C1CC2=C(C3=C(C=C(C=C3)CN4CCN(CC4)C5=NC=C(C=C5)C#N)NC2=O)NC1Isomeric SMILES
SMILES: C1CC2=C(C3=C(C=C(C=C3)CN4CCN(CC4)C5=NC=C(C=C5)C#N)NC2=O)NC1Synonyms(20)
Nesuparib2055357-64-5JPI-547JPI547U6N7333GDWNESUPARIB [INN]Jpi 5476-(4-((5-Oxo-1,2,3,4,5,6-hexahydrobenzo(H)(1,6)naphthyridin-8-yl)methyl)piperazin-1-yl)nicotinonitrile6-(4-((5-Oxo-1,2,3,4,5,6-hexahydrobenzo[h][1,6]naphthyridin-8-yl)methyl)piperazin-1-yl)nicotinonitrileRefChem:165540JPI-547 [WHO-DD]PARP/TNK Inhibitor JPI-547NOV 1402PARP1/2/TNK1/2 Inhibitor JPI-547NOV140201
Data from PubChem (NCBI)
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