Olorofim
2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]-2-oxoacetamide
Molecular Identity
Olorofim
2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]-2-oxoacetamide
PubChem CID: 91885568
2D Structure
Properties
C28H27FN6O2
Molecular Formula
498.60
Molecular Weight
g/mol
498.2180
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
83.4
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
771
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C(N1C)C(=O)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=NC=C(C=N4)F)C5=CC=CC=C5Isomeric SMILES
SMILES: CC1=CC(=C(N1C)C(=O)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C4=NC=C(C=N4)F)C5=CC=CC=C5Synonyms(20)
Olorofim1928707-56-5F-901318F901318T34SH2H9HI2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxoacetamide1H-Pyrrole-2-acetamide, N-(4-(4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl)phenyl)-1,5-dimethyl-alpha-oxo-3-phenyl-2-(1,5-Dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-{4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl}-2-oxoacetamideolorofimum1H-Pyrrole-2-acetamide, N-[4-[4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]phenyl]-1,5-dimethyl-alpha-oxo-3-phenyl-2-(1,5-Dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]-2-oxoacetamideRefChem:168171Antifungal Agent F901318842-050-3OLOROFIM [INN]
Data from PubChem (NCBI)
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