3-[[3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-6-fluoro-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one

C23H23FN4O3 — CID 66636527

IUPAC3-[[3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-6-fluoro-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1Nc2cc(F)c(CN3CCOC3=O)cc2C1=Cc1cc(CN2C[C@H]3C[C@H]3C2)c[nH]1
InChIInChI=1S/C23H23FN4O3/c24-20-7-21-18(5-16(20)12-28-1-2-31-23(28)30)19(22(29)26-21)6-17-3-13(8-25-17)9-27-10-14-4-15(14)11-27/h3,5-8,14-15,25H,1-2,4,9-12H2,(H,26,29)/t14-,15+
InChIKeyXPGACBSJDZFEGS-GASCZTMLSA-N
MW422.46 g/mol
LogP3.05
Rot. Bonds5

About 3-[[3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-6-fluoro-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one

3-[[3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-6-fluoro-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 66636527) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 3-[[3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-6-fluoro-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-6-fluoro-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID66636527
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name3-[[3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-6-fluoro-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1Nc2cc(F)c(CN3CCOC3=O)cc2C1=Cc1cc(CN2C[C@H]3C[C@H]3C2)c[nH]1
InChIInChI=1S/C23H23FN4O3/c24-20-7-21-18(5-16(20)12-28-1-2-31-23(28)30)19(22(29)26-21)6-17-3-13(8-25-17)9-27-10-14-4-15(14)11-27/h3,5-8,14-15,25H,1-2,4,9-12H2,(H,26,29)/t14-,15+
InChIKeyXPGACBSJDZFEGS-GASCZTMLSA-N
XLogP3.05
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[[3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-6-fluoro-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-6-fluoro-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-6-fluoro-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one (CID 66636527) is 3-[[3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-6-fluoro-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-6-fluoro-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-6-fluoro-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one is O=C1Nc2cc(F)c(CN3CCOC3=O)cc2C1=Cc1cc(CN2C[C@H]3C[C@H]3C2)c[nH]1.
What is the InChIKey of 3-[[3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-6-fluoro-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is XPGACBSJDZFEGS-GASCZTMLSA-N. The full InChI is InChI=1S/C23H23FN4O3/c24-20-7-21-18(5-16(20)12-28-1-2-31-23(28)30)19(22(29)26-21)6-17-3-13(8-25-17)9-27-10-14-4-15(14)11-27/h3,5-8,14-15,25H,1-2,4,9-12H2,(H,26,29)/t14-,15+.
What are the key properties of 3-[[3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-6-fluoro-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one?
3-[[3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-6-fluoro-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 422.46 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-6-fluoro-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66636527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).