Fostemsavir
[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate
Molecular Identity
Fostemsavir
[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphate
PubChem CID: 11319217
2D Structure
Properties
C25H26N7O8P
Molecular Formula
583.50
Molecular Weight
g/mol
583.1580
Exact Mass
Da
-0.1
XLogP
Drug-like (Lipinski: < 5)
182
TPSA
May have limited oral absorption
2
H-Bond Donors
11
H-Bond Acceptors
1020
Complexity
SMILES
Canonical SMILES
SMILES: CC1=NN(C=N1)C2=NC=C(C3=C2N(C=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)COP(=O)(O)O)OCIsomeric SMILES
SMILES: CC1=NN(C=N1)C2=NC=C(C3=C2N(C=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)COP(=O)(O)O)OCSynonyms(20)
Fostemsavir864953-29-7BMS-663068BMS-663068 free acid97IQ273H4L[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)pyrrolo[2,3-c]pyridin-1-yl]methyl dihydrogen phosphateDTXSID40235596Piperazine, 1-benzoyl-4-((4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-((phosphonooxy)methyl)-1H-pyrrolo(2,3-c)pyridin-3-yl)oxoacetyl)-1-(4-Benzoyl-1-piperazinyl)-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-[(phosphonooxy)methyl]-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-ethanedionefostemsavirum(3-(2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl)-4-methoxy-7-(3-methyl-1,2,4-triazol-1-yl)pyrrolo(2,3-c)pyridin-1-yl)methyl dihydrogen phosphate1-(4-Benzoyl-1-piperazinyl)-2-(4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1-((phosphonooxy)methyl)-1H-pyrrolo(2,3-c)pyridin-3-yl)-1,2-ethanedioneRefChem:600359DTXCID70158087BMS 663068
Data from PubChem (NCBI)
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