6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C23H24FN5O6S — CID 142434663

IUPAC6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCOc1c(F)c(N2CC(C(=O)NCC3CCCCO3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1
InChIInChI=1S/C23H24FN5O6S/c1-34-18-15-17(30)14(22(32)33)11-29(23-25-5-7-36-23)19(15)27-20(16(18)24)28-9-12(10-28)21(31)26-8-13-4-2-3-6-35-13/h5,7,11-13H,2-4,6,8-10H2,1H3,(H,26,31)(H,32,33)
InChIKeyFUMRVDHBGBSGHG-UHFFFAOYSA-N
MW517.54 g/mol
LogP1.81
Rot. Bonds7

About 6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434663) has the molecular formula C23H24FN5O6S and a molecular weight of 517.54 g/mol. Its IUPAC name is 6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434663
Molecular FormulaC23H24FN5O6S
Molecular Weight517.54 g/mol
Exact Mass517.14
IUPAC Name6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCOc1c(F)c(N2CC(C(=O)NCC3CCCCO3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1
InChIInChI=1S/C23H24FN5O6S/c1-34-18-15-17(30)14(22(32)33)11-29(23-25-5-7-36-23)19(15)27-20(16(18)24)28-9-12(10-28)21(31)26-8-13-4-2-3-6-35-13/h5,7,11-13H,2-4,6,8-10H2,1H3,(H,26,31)(H,32,33)
InChIKeyFUMRVDHBGBSGHG-UHFFFAOYSA-N
XLogP1.81
TPSA135.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.54
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434663) is 6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is COc1c(F)c(N2CC(C(=O)NCC3CCCCO3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1.
What is the InChIKey of 6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is FUMRVDHBGBSGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O6S/c1-34-18-15-17(30)14(22(32)33)11-29(23-25-5-7-36-23)19(15)27-20(16(18)24)28-9-12(10-28)21(31)26-8-13-4-2-3-6-35-13/h5,7,11-13H,2-4,6,8-10H2,1H3,(H,26,31)(H,32,33).
What are the key properties of 6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 517.54 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-methoxy-7-[3-(oxan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).