7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride

C16H15ClFN5O3S — CID 45262533

About 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride

7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride (PubChem CID 45262533) has the molecular formula C16H15ClFN5O3S and a molecular weight of 411.85 g/mol. Its IUPAC name is 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
• PubChem CID: 45262533
• Molecular Formula: C16H15ClFN5O3S
• Molecular Weight: 411.85 g/mol
• Exact Mass: 411.06
• IUPAC Name: 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
• SMILES: Cl.N[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)C1
• InChI: InChI=1S/C16H14FN5O3S.ClH/c17-11-5-9-12(23)10(15(24)25)7-22(16-19-2-4-26-16)13(9)20-14(11)21-3-1-8(18)6-21;/h2,4-5,7-8H,1,3,6,18H2,(H,24,25);1H/t8-;/m1./s1
• InChIKey: XBTHBHWFGMNSBA-DDWIOCJRSA-N
• XLogP: 1.64
• TPSA: 114.34 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	411.85
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

The IUPAC name of 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride (CID 45262533) is 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

What is the SMILES notation for 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

The canonical SMILES for 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride is Cl.N[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)C1.

What is the InChIKey of 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

The InChIKey is XBTHBHWFGMNSBA-DDWIOCJRSA-N. The full InChI is InChI=1S/C16H14FN5O3S.ClH/c17-11-5-9-12(23)10(15(24)25)7-22(16-19-2-4-26-16)13(9)20-14(11)21-3-1-8(18)6-21;/h2,4-5,7-8H,1,3,6,18H2,(H,24,25);1H/t8-;/m1./s1.

What are the key properties of 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride has a molecular weight of 411.85 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 45262533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).