7-(3-aminopyrrol-1-yl)-1-(4-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride

C16H11ClFN5O3S — CID 174332449

About 7-(3-aminopyrrol-1-yl)-1-(4-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride

7-(3-aminopyrrol-1-yl)-1-(4-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride (PubChem CID 174332449) has the molecular formula C16H11ClFN5O3S and a molecular weight of 407.81 g/mol. Its IUPAC name is 7-(3-aminopyrrol-1-yl)-1-(4-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 7-(3-aminopyrrol-1-yl)-1-(4-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
• PubChem CID: 174332449
• Molecular Formula: C16H11ClFN5O3S
• Molecular Weight: 407.81 g/mol
• Exact Mass: 407.03
• IUPAC Name: 7-(3-aminopyrrol-1-yl)-1-(4-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
• SMILES: Cl.Nc1ccn(-c2ccc3c(=O)c(C(=O)O)cn(-c4nc(F)cs4)c3n2)c1
• InChI: InChI=1S/C16H10FN5O3S.ClH/c17-11-7-26-16(19-11)22-6-10(15(24)25)13(23)9-1-2-12(20-14(9)22)21-4-3-8(18)5-21;/h1-7H,18H2,(H,24,25);1H
• InChIKey: UBLSNHYZIRNFDZ-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 116.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.81
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(3-aminopyrrol-1-yl)-1-(4-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

The IUPAC name of 7-(3-aminopyrrol-1-yl)-1-(4-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride (CID 174332449) is 7-(3-aminopyrrol-1-yl)-1-(4-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

What is the SMILES notation for 7-(3-aminopyrrol-1-yl)-1-(4-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

The canonical SMILES for 7-(3-aminopyrrol-1-yl)-1-(4-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride is Cl.Nc1ccn(-c2ccc3c(=O)c(C(=O)O)cn(-c4nc(F)cs4)c3n2)c1.

What is the InChIKey of 7-(3-aminopyrrol-1-yl)-1-(4-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

The InChIKey is UBLSNHYZIRNFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5O3S.ClH/c17-11-7-26-16(19-11)22-6-10(15(24)25)13(23)9-1-2-12(20-14(9)22)21-4-3-8(18)5-21;/h1-7H,18H2,(H,24,25);1H.

What are the key properties of 7-(3-aminopyrrol-1-yl)-1-(4-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

7-(3-aminopyrrol-1-yl)-1-(4-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride has a molecular weight of 407.81 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3-aminopyrrol-1-yl)-1-(4-fluoro-1,3-thiazol-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 174332449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).