LY3202626
N-[3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
Molecular Identity
LY3202626
N-[3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
PubChem CID: 78210254
2D Structure
Properties
C22H20F2N8O2S
Molecular Formula
498.50
Molecular Weight
g/mol
498.1398
Exact Mass
Da
1.3
XLogP
Drug-like (Lipinski: < 5)
157
TPSA
May have limited oral absorption
2
H-Bond Donors
11
H-Bond Acceptors
803
Complexity
SMILES
Canonical SMILES
SMILES: COC1=NC=C(N=C1)C(=O)NC2=CC(=C(C=C2)F)C34CN(CC3CSC(=N4)N)C5=NC=C(C=N5)FIsomeric SMILES
SMILES: COC1=NC=C(N=C1)C(=O)NC2=CC(=C(C=C2)F)[C@]34CN(C[C@H]3CSC(=N4)N)C5=NC=C(C=N5)FSynonyms(20)
LY3202626LY-3202626RefChem:1545721628690-73-2UNII-1L8QUK35RX1L8QUK35RXN-(3-((4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl)-4-fluorophenyl)-5-methoxypyrazine-2-carboxamideN-[3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide2-Pyrazinecarboxamide, N-[3-[(4aR,7aS)-2-amino-6-(5-fluoro-2-pyrimidinyl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl]-5-methoxy-N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamideorb1700038CHEMBL4452566SCHEMBL16091712SCHEMBL17624135SCHEMBL29787320
Data from PubChem (NCBI)
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