[(3S,6R)-6-[2-[3-[(3S)-3-amino-4,4-bis(4-fluorophenyl)-2-oxobutyl]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl 3-(2-oxo-1,3-oxazolidin-5-yl)propanoate

C34H37F3N4O6 — CID 146701457

IUPAC[(3S,6R)-6-[2-[3-[(3S)-3-amino-4,4-bis(4-fluorophenyl)-2-oxobutyl]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl 3-(2-oxo-1,3-oxazolidin-5-yl)propanoate
SMILESN[C@H](C(=O)Cc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)CCC2CNC(=O)O2)CO1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C34H37F3N4O6/c35-23-5-1-20(2-6-23)32(21-3-7-24(36)8-4-21)33(38)30(42)13-22-14-39-17-29(37)28(22)11-9-26-15-40-25(18-45-26)19-46-31(43)12-10-27-16-41-34(44)47-27/h1-8,14,17,25-27,32-33,40H,9-13,15-16,18-19,38H2,(H,41,44)/t25-,26+,27?,33+/m0/s1
InChIKeyQVCDFEUJWPZDDK-NTRXFYDUSA-N
MW654.69 g/mol
LogP3.49
Rot. Bonds14

About [(3S,6R)-6-[2-[3-[(3S)-3-amino-4,4-bis(4-fluorophenyl)-2-oxobutyl]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl 3-(2-oxo-1,3-oxazolidin-5-yl)propanoate

[(3S,6R)-6-[2-[3-[(3S)-3-amino-4,4-bis(4-fluorophenyl)-2-oxobutyl]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl 3-(2-oxo-1,3-oxazolidin-5-yl)propanoate (PubChem CID 146701457) has the molecular formula C34H37F3N4O6 and a molecular weight of 654.69 g/mol. Its IUPAC name is [(3S,6R)-6-[2-[3-[(3S)-3-amino-4,4-bis(4-fluorophenyl)-2-oxobutyl]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl 3-(2-oxo-1,3-oxazolidin-5-yl)propanoate.

Molecular Properties

Compound Name[(3S,6R)-6-[2-[3-[(3S)-3-amino-4,4-bis(4-fluorophenyl)-2-oxobutyl]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl 3-(2-oxo-1,3-oxazolidin-5-yl)propanoate
PubChem CID146701457
Molecular FormulaC34H37F3N4O6
Molecular Weight654.69 g/mol
Exact Mass654.27
IUPAC Name[(3S,6R)-6-[2-[3-[(3S)-3-amino-4,4-bis(4-fluorophenyl)-2-oxobutyl]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl 3-(2-oxo-1,3-oxazolidin-5-yl)propanoate
SMILESN[C@H](C(=O)Cc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)CCC2CNC(=O)O2)CO1)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C34H37F3N4O6/c35-23-5-1-20(2-6-23)32(21-3-7-24(36)8-4-21)33(38)30(42)13-22-14-39-17-29(37)28(22)11-9-26-15-40-25(18-45-26)19-46-31(43)12-10-27-16-41-34(44)47-27/h1-8,14,17,25-27,32-33,40H,9-13,15-16,18-19,38H2,(H,41,44)/t25-,26+,27?,33+/m0/s1
InChIKeyQVCDFEUJWPZDDK-NTRXFYDUSA-N
XLogP3.49
TPSA141.87 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.69
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze [(3S,6R)-6-[2-[3-[(3S)-3-amino-4,4-bis(4-fluorophenyl)-2-oxobutyl]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl 3-(2-oxo-1,3-oxazolidin-5-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S,6R)-6-[2-[3-[(3S)-3-amino-4,4-bis(4-fluorophenyl)-2-oxobutyl]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl 3-(2-oxo-1,3-oxazolidin-5-yl)propanoate?
The IUPAC name of [(3S,6R)-6-[2-[3-[(3S)-3-amino-4,4-bis(4-fluorophenyl)-2-oxobutyl]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl 3-(2-oxo-1,3-oxazolidin-5-yl)propanoate (CID 146701457) is [(3S,6R)-6-[2-[3-[(3S)-3-amino-4,4-bis(4-fluorophenyl)-2-oxobutyl]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl 3-(2-oxo-1,3-oxazolidin-5-yl)propanoate.
What is the SMILES notation for [(3S,6R)-6-[2-[3-[(3S)-3-amino-4,4-bis(4-fluorophenyl)-2-oxobutyl]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl 3-(2-oxo-1,3-oxazolidin-5-yl)propanoate?
The canonical SMILES for [(3S,6R)-6-[2-[3-[(3S)-3-amino-4,4-bis(4-fluorophenyl)-2-oxobutyl]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl 3-(2-oxo-1,3-oxazolidin-5-yl)propanoate is N[C@H](C(=O)Cc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)CCC2CNC(=O)O2)CO1)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of [(3S,6R)-6-[2-[3-[(3S)-3-amino-4,4-bis(4-fluorophenyl)-2-oxobutyl]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl 3-(2-oxo-1,3-oxazolidin-5-yl)propanoate?
The InChIKey is QVCDFEUJWPZDDK-NTRXFYDUSA-N. The full InChI is InChI=1S/C34H37F3N4O6/c35-23-5-1-20(2-6-23)32(21-3-7-24(36)8-4-21)33(38)30(42)13-22-14-39-17-29(37)28(22)11-9-26-15-40-25(18-45-26)19-46-31(43)12-10-27-16-41-34(44)47-27/h1-8,14,17,25-27,32-33,40H,9-13,15-16,18-19,38H2,(H,41,44)/t25-,26+,27?,33+/m0/s1.
What are the key properties of [(3S,6R)-6-[2-[3-[(3S)-3-amino-4,4-bis(4-fluorophenyl)-2-oxobutyl]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl 3-(2-oxo-1,3-oxazolidin-5-yl)propanoate?
[(3S,6R)-6-[2-[3-[(3S)-3-amino-4,4-bis(4-fluorophenyl)-2-oxobutyl]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl 3-(2-oxo-1,3-oxazolidin-5-yl)propanoate has a molecular weight of 654.69 g/mol, XLogP of 3.49, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6R)-6-[2-[3-[(3S)-3-amino-4,4-bis(4-fluorophenyl)-2-oxobutyl]-5-fluoro-4-pyridinyl]ethyl]morpholin-3-yl]methyl 3-(2-oxo-1,3-oxazolidin-5-yl)propanoate is sourced from PubChem (CID 146701457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).