Sebetralstat
N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
Molecular Identity
Sebetralstat
N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
PubChem CID: 121365142
2D Structure
Properties
C26H26FN5O4
Molecular Formula
491.50
Molecular Weight
g/mol
491.1969
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
98.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
803
Complexity
SMILES
Canonical SMILES
SMILES: COCC1=NN(C=C1C(=O)NCC2=NC=CC(=C2F)OC)CC3=CC=C(C=C3)CN4C=CC=CC4=OIsomeric SMILES
SMILES: COCC1=NN(C=C1C(=O)NCC2=NC=CC(=C2F)OC)CC3=CC=C(C=C3)CN4C=CC=CC4=OSynonyms(20)
Sebetralstat1933514-13-6KVD900KVD-900O5ZD2TU2B7N-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-[[4-[(2-oxopyridin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide1H-Pyrazole-4-carboxamide, N-((3-fluoro-4-methoxy-2-pyridinyl)methyl)-3-methoxymethyl)-1-((4-((2-oxo-1(2H)-pyridinyl)methyl)phenyl)methyl)-1H-Pyrazole-4-carboxamide, N-[(3-fluoro-4-methoxy-2-pyridinyl)methyl]-3-methoxymethyl)-1-[[4-[(2-oxo-1(2H)-pyridinyl)methyl]phenyl]methyl]-N-((3-fluoro-4-methoxypyridin-2-yl)methyl)-3-(methoxymethyl)-1-((4-((2-oxopyridin-1(2H)-yl)methyl)phenyl)methyl)-1H-pyrazol-4-carboxamideN-((3-fluoro-4-methoxypyridin-2-yl)methyl)-3-(methoxymethyl)-1-((4-((2-oxopyridin-1-yl)methyl)phenyl)methyl)pyrazole-4-carboxamideN-[(3-fluoro-4-methoxypyridin-2-yl)methyl]-3-(methoxymethyl)-1-({4-[(2-oxopyridin-1(2H)-yl)methyl]phenyl}methyl)-1H-pyrazol-4-carboxamideRefChem:182116EKTERLYSebetralstat [INN]Sebetralstat [USAN]
Data from PubChem (NCBI)
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