7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C23H23FN4O5S — CID 147221876

IUPAC7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCCOCC1(CC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nccs3)C2)CC1
InChIInChI=1S/C23H23FN4O5S/c1-2-33-12-23(3-4-23)8-17(29)13-9-27(10-13)20-16(24)7-14-18(30)15(21(31)32)11-28(19(14)26-20)22-25-5-6-34-22/h5-7,11,13H,2-4,8-10,12H2,1H3,(H,31,32)
InChIKeyCHFQTFLWOOYMPD-UHFFFAOYSA-N
MW486.53 g/mol
LogP2.89
Rot. Bonds9

About 7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 147221876) has the molecular formula C23H23FN4O5S and a molecular weight of 486.53 g/mol. Its IUPAC name is 7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID147221876
Molecular FormulaC23H23FN4O5S
Molecular Weight486.53 g/mol
Exact Mass486.14
IUPAC Name7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCCOCC1(CC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nccs3)C2)CC1
InChIInChI=1S/C23H23FN4O5S/c1-2-33-12-23(3-4-23)8-17(29)13-9-27(10-13)20-16(24)7-14-18(30)15(21(31)32)11-28(19(14)26-20)22-25-5-6-34-22/h5-7,11,13H,2-4,8-10,12H2,1H3,(H,31,32)
InChIKeyCHFQTFLWOOYMPD-UHFFFAOYSA-N
XLogP2.89
TPSA114.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid with MolForge

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Related Compounds

6-fluoro-7-[3-(5-methoxypentanoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 157142777
7-[3-(ethoxyamino)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434459
6-fluoro-7-[3-[2-(5-methoxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 159104114
6-fluoro-7-[3-[2-(2-methyl-1,2,4-triazol-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 160809221
6-fluoro-4-oxo-7-[3-(prop-2-ynylcarbamoyl)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434794
6-fluoro-7-[3-[2-(5-methyl-1-propylpyrazol-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 160506628
6-fluoro-7-[3-[2-(5-hydroxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 161162903
7-[3-(dimethylaminooxy)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435116
6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-[3-(2,2,2-trifluoroethylcarbamoyl)azetidin-1-yl]-1,8-naphthyridine-3-carboxylic acid
CID 142434742
7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 45262555
7-[3-(4-ethoxybutanoyl)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 162141297
6-fluoro-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435526

Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 147221876) is 7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is CCOCC1(CC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nccs3)C2)CC1.
What is the InChIKey of 7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is CHFQTFLWOOYMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O5S/c1-2-33-12-23(3-4-23)8-17(29)13-9-27(10-13)20-16(24)7-14-18(30)15(21(31)32)11-28(19(14)26-20)22-25-5-6-34-22/h5-7,11,13H,2-4,8-10,12H2,1H3,(H,31,32).
What are the key properties of 7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 486.53 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 147221876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).