ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate

C19H20FN5O3S — CID 11825886

About ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate

ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate (PubChem CID 11825886) has the molecular formula C19H20FN5O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate
• PubChem CID: 11825886
• Molecular Formula: C19H20FN5O3S
• Molecular Weight: 417.47 g/mol
• Exact Mass: 417.13
• IUPAC Name: ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate
• SMILES: CCOC(=O)c1cn(Cc2nccs2)c2nc(N3CCC(N)C3)c(F)cc2c1=O
• InChI: InChI=1S/C19H20FN5O3S/c1-2-28-19(27)13-9-25(10-15-22-4-6-29-15)17-12(16(13)26)7-14(20)18(23-17)24-5-3-11(21)8-24/h4,6-7,9,11H,2-3,5,8,10,21H2,1H3
• InChIKey: UYXCQZGAYKHPMO-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 103.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.47
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate?

The IUPAC name of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate (CID 11825886) is ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate.

What is the SMILES notation for ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate?

The canonical SMILES for ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(Cc2nccs2)c2nc(N3CCC(N)C3)c(F)cc2c1=O.

What is the InChIKey of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate?

The InChIKey is UYXCQZGAYKHPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3S/c1-2-28-19(27)13-9-25(10-15-22-4-6-29-15)17-12(16(13)26)7-14(20)18(23-17)24-5-3-11(21)8-24/h4,6-7,9,11H,2-3,5,8,10,21H2,1H3.

What are the key properties of ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate?

ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate has a molecular weight of 417.47 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1-(1,3-thiazol-2-ylmethyl)-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 11825886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).