Nemiralisib
2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
Molecular Identity
Nemiralisib
2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID: 49784002
2D Structure
Properties
C26H28N6O
Molecular Formula
440.50
Molecular Weight
g/mol
440.2325
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
77
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
655
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)N1CCN(CC1)CC2=CN=C(O2)C3=C4C=NNC4=CC(=C3)C5=C6C=CNC6=CC=C5Isomeric SMILES
SMILES: CC(C)N1CCN(CC1)CC2=CN=C(O2)C3=C4C=NNC4=CC(=C3)C5=C6C=CNC6=CC=C5Synonyms(20)
nemiralisib1254036-71-9GSK-2269557 free baseOEP8JJ3OZR2-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-5-[(4-propan-2-ylpiperazin-1-yl)methyl]-1,3-oxazoleGSK2269557A1H-indazole, 6-(1H-indol-4-yl)-4-[5-[[4-(1-methylethyl)-1-piperazinyl]methyl]-2-oxazolyl]-GSK-2269557A1H-Indazole, 6-(1H-indol-4-yl)-4-(5-((4-(1-methylethyl)-1-piperazinyl)methyl)-2-oxazolyl)-6-(1H-Indol-4-yl)-4-(5-((4-(1-methylethyl)-1-piperazinyl)methyl)-1,3-oxazol-2-yl)-1H-indazole6-(1H-indol-4-yl)-4-(5-{[4-(1-methylethyl)-1-piperazinyl]methyl}-1,3-oxazol-2-yl)-1H-indazolenemiralisibum2-(6-(1H-indol-4-yl)-1H-indazol-4-yl)-5-((4-propan-2-ylpiperazin-1-yl)methyl)-1,3-oxazoleRefChem:927577689-356-1
Data from PubChem (NCBI)
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