Padnarsertib
(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide
Molecular Identity
Padnarsertib
(E)-3-(6-amino-3-pyridinyl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide
PubChem CID: 117779453
2D Structure
Properties
C35H29F3N4O3
Molecular Formula
610.60
Molecular Weight
g/mol
610.2192
Exact Mass
Da
6.1
XLogP
Above Lipinski threshold
101
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
1040
Complexity
SMILES
Canonical SMILES
SMILES: C1CN(CCC1(F)F)C(=O)C2=CC=C(C=C2)C3=CC(=C4C(=C3)C=C(O4)CNC(=O)C=CC5=CN=C(C=C5)N)C6=CC=C(C=C6)FIsomeric SMILES
SMILES: C1CN(CCC1(F)F)C(=O)C2=CC=C(C=C2)C3=CC(=C4C(=C3)C=C(O4)CNC(=O)/C=C/C5=CN=C(C=C5)N)C6=CC=C(C=C6)FSynonyms(20)
KPT-92741643913-93-2padnarsertibPAK4-IN-1Kpt 92749T56TV18X72-Propenamide, 3-(6-amino-3-pyridinyl)-N-[[5-[4-[(4,4-difluoro-1-piperidinyl)carbonyl]phenyl]-7-(4-fluorophenyl)-2-benzofuranyl]methyl]-, (2E)-(E)-3-(6-aminopyridin-3-yl)-N-[[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]methyl]prop-2-enamide2-Propenamide, 3-(6-amino-3-pyridinyl)-N-((5-(4-((4,4-difluoro-1-piperidinyl)carbonyl)phenyl)-7-(4-fluorophenyl)-2-benzofuranyl)methyl)-, (2E)-(E)-3-(6-aminopyridin-3-yl)-N-((5-(4-(4,4-difluoropiperidine-1-carbonyl)phenyl)-7-(4-fluorophenyl)-1-benzofuran-2-yl)methyl)prop-2-enamideRefChem:169505ATG019ATG 019ATG-019PAK4/NAMPT Inhibitor ATG-019
Data from PubChem (NCBI)
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