1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

C23H20FN3O5 — CID 66661879

IUPAC1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(N5CCOC5=O)cc4F)CC3)C2)c2ccncc21
InChIInChI=1S/C23H20FN3O5/c24-18-11-14(27-9-10-31-21(27)30)1-2-17(18)22(4-5-22)20(29)26-8-6-23(13-26)16-3-7-25-12-15(16)19(28)32-23/h1-3,7,11-12H,4-6,8-10,13H2
InChIKeyJWHKNKANUCMLCK-UHFFFAOYSA-N
MW437.43 g/mol
LogP2.51
Rot. Bonds3

About 1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one

1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (PubChem CID 66661879) has the molecular formula C23H20FN3O5 and a molecular weight of 437.43 g/mol. Its IUPAC name is 1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.

Molecular Properties

Compound Name1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
PubChem CID66661879
Molecular FormulaC23H20FN3O5
Molecular Weight437.43 g/mol
Exact Mass437.14
IUPAC Name1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one
SMILESO=C1OC2(CCN(C(=O)C3(c4ccc(N5CCOC5=O)cc4F)CC3)C2)c2ccncc21
InChIInChI=1S/C23H20FN3O5/c24-18-11-14(27-9-10-31-21(27)30)1-2-17(18)22(4-5-22)20(29)26-8-6-23(13-26)16-3-7-25-12-15(16)19(28)32-23/h1-3,7,11-12H,4-6,8-10,13H2
InChIKeyJWHKNKANUCMLCK-UHFFFAOYSA-N
XLogP2.51
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The IUPAC name of 1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one (CID 66661879) is 1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one.
What is the SMILES notation for 1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The canonical SMILES for 1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is O=C1OC2(CCN(C(=O)C3(c4ccc(N5CCOC5=O)cc4F)CC3)C2)c2ccncc21.
What is the InChIKey of 1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
The InChIKey is JWHKNKANUCMLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O5/c24-18-11-14(27-9-10-31-21(27)30)1-2-17(18)22(4-5-22)20(29)26-8-6-23(13-26)16-3-7-25-12-15(16)19(28)32-23/h1-3,7,11-12H,4-6,8-10,13H2.
What are the key properties of 1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one?
1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one has a molecular weight of 437.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopropanecarbonyl]spiro[furo[3,4-c]pyridine-1,3'-pyrrolidine]-3-one is sourced from PubChem (CID 66661879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).