Sipagladenant
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
Molecular Identity
Sipagladenant
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamide
PubChem CID: 23144148
2D Structure
Properties
C20H19N3O4S
Molecular Formula
397.40
Molecular Weight
g/mol
397.1096
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
123
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
572
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC=C(C=C1)C(=O)NC2=NC(=C(S2)C(=O)C3CCOCC3)C4=CC=CO4Isomeric SMILES
SMILES: CC1=NC=C(C=C1)C(=O)NC2=NC(=C(S2)C(=O)C3CCOCC3)C4=CC=CO4Synonyms(20)
Sipagladenant858979-50-7KW-6356FF2012ZV92KW6356RefChem:1098568Sipagladenant [INN]UNII-FF2012ZV923-Pyridinecarboxamide, N-(4-(2-furanyl)-5-((tetrahydro-2H-pyran-4-yl)carbonyl)-2-thiazolyl)-6-methyl-N-(4-(Furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl)-6-methylpyridine-3-carboxamideN-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-6-methylpyridine-3-carboxamideSCHEMBL879438orb1688162CHEMBL5314441GLXC-27293
Data from PubChem (NCBI)
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