[1-[6-carboxy-3-fluoro-8-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]azanium chloride

C17H17ClFN5O3S — CID 11732657

About [1-[6-carboxy-3-fluoro-8-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]azanium chloride

[1-[6-carboxy-3-fluoro-8-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]azanium chloride (PubChem CID 11732657) has the molecular formula C17H17ClFN5O3S and a molecular weight of 425.87 g/mol. Its IUPAC name is [1-[6-carboxy-3-fluoro-8-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]azanium chloride.

Molecular Properties

• Compound Name: [1-[6-carboxy-3-fluoro-8-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]azanium chloride
• PubChem CID: 11732657
• Molecular Formula: C17H17ClFN5O3S
• Molecular Weight: 425.87 g/mol
• Exact Mass: 425.07
• IUPAC Name: [1-[6-carboxy-3-fluoro-8-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]azanium chloride
• SMILES: Cc1csc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCC([NH3+])C4)nc32)n1.[Cl-]
• InChI: InChI=1S/C17H16FN5O3S.ClH/c1-8-7-27-17(20-8)23-6-11(16(25)26)13(24)10-4-12(18)15(21-14(10)23)22-3-2-9(19)5-22;/h4,6-7,9H,2-3,5,19H2,1H3,(H,25,26);1H
• InChIKey: NELOWKYWNCVWSB-UHFFFAOYSA-N
• XLogP: -2.19
• TPSA: 115.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.87
LogP ≤ 5	-2.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[6-carboxy-3-fluoro-8-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]azanium chloride?

The IUPAC name of [1-[6-carboxy-3-fluoro-8-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]azanium chloride (CID 11732657) is [1-[6-carboxy-3-fluoro-8-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]azanium chloride.

What is the SMILES notation for [1-[6-carboxy-3-fluoro-8-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]azanium chloride?

The canonical SMILES for [1-[6-carboxy-3-fluoro-8-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]azanium chloride is Cc1csc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCC([NH3+])C4)nc32)n1.[Cl-].

What is the InChIKey of [1-[6-carboxy-3-fluoro-8-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]azanium chloride?

The InChIKey is NELOWKYWNCVWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3S.ClH/c1-8-7-27-17(20-8)23-6-11(16(25)26)13(24)10-4-12(18)15(21-14(10)23)22-3-2-9(19)5-22;/h4,6-7,9H,2-3,5,19H2,1H3,(H,25,26);1H.

What are the key properties of [1-[6-carboxy-3-fluoro-8-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]azanium chloride?

[1-[6-carboxy-3-fluoro-8-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]azanium chloride has a molecular weight of 425.87 g/mol, XLogP of -2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[6-carboxy-3-fluoro-8-(4-methyl-1,3-thiazol-2-yl)-5-oxo-1,8-naphthyridin-2-yl]pyrrolidin-3-yl]azanium chloride is sourced from PubChem (CID 11732657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).