Emavusertib
N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
Molecular Identity
Emavusertib
N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
PubChem CID: 118224491
2D Structure
Properties
C24H25N7O5
Molecular Formula
491.50
Molecular Weight
g/mol
491.1917
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
143
TPSA
May have limited oral absorption
2
H-Bond Donors
11
H-Bond Acceptors
773
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NC=CC(=C1)C2=NC(=CO2)C(=O)NC3=CC4=C(N=C3N5CCC(C5)O)N=C(O4)N6CCOCC6Isomeric SMILES
SMILES: CC1=NC=CC(=C1)C2=NC(=CO2)C(=O)NC3=CC4=C(N=C3N5CC[C@H](C5)O)N=C(O4)N6CCOCC6Synonyms(20)
Emavusertib1801344-14-8AU-4948Emavusertib [INN]Emavusertib [USAN]MH5DMF9JKYCA4948Emavusertib (CA-4948)(R)-N-(5-(3-Hydroxypyrrolidin-1-yl)-2-morpholinooxazolo[4,5-b]pyridin-6-yl)-2-(2-methylpyridin-4-yl)oxazole-4-carboxamideCHEMBL4783351GTPL10152AU4948BDBM505479644-Oxazolecarboxamide, N-[5-[(3R)-3-hydroxy-1-pyrrolidinyl]-2-(4-morpholinyl)oxazolo[4,5-b]pyridin-6-yl]-2-(2-methyl-4-pyridinyl)-N-[5-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl]-2-(2-methylpyridin-4-yl)-1,3-oxazole-4-carboxamide
Data from PubChem (NCBI)
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