Gepotidacin
(3R)-3-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
Molecular Identity
Gepotidacin
(3R)-3-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
PubChem CID: 25101874
2D Structure
Properties
C24H28N6O3
Molecular Formula
448.50
Molecular Weight
g/mol
448.2223
Exact Mass
Da
0.1
XLogP
Drug-like (Lipinski: < 5)
90.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
893
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Gepotidacin1075236-89-3GSK-2140944GepotidacinaGepotidacineDVF0PR037DDTXSID501028208(3R)-3-[[4-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethylamino)piperidin-1-yl]methyl]-1,4,7-triazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione3H,8H-2a,5,8a-Triazaacenaphthylene-3,8-dione, 2-((4-(((3,4-dihydro-2H-pyrano(2,3-C)pyridin-6-yl)methyl)amino)-1-piperidinyl)methyl)-1,2-dihydro-, (2R)-gepotidacinum(2R)-2-((4-(((3,4-Dihydro-2H-pyrano(2,3-c)pyridin-6-yl)methyl)amino)-1-piperidinyl)methyl)-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione(2R)-2-[[4-[[(3,4-Dihydro-2H-pyrano[2,3-c]pyridin-6-yl)methyl]amino]-1-piperidinyl]methyl]-1,2-dihydro-3H,8H-2a,5,8a-triazaacenaphthylene-3,8-dione(3R)-3-((4-(3,4-dihydro-2H-pyrano(2,3-c)pyridin-6-ylmethylamino)piperidin-1-yl)methyl)-1,4,7-triazatricyclo(6.3.1.04,12)dodeca-6,8(12),9-triene-5,11-dione3H,8H-2a,5,8a-Triazaacenaphthylene-3,8-dione, 2-[[4-[[(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-yl)methyl]amino]-1-piperidinyl]methyl]-1,2-dihydro-, (2R)-RefChem:639850
Data from PubChem (NCBI)
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