7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-6-fluoro-4-oxo-1-(1,2,5-thiadiazol-3-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride

C18H18ClFN6O4S — CID 70205691

About 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-6-fluoro-4-oxo-1-(1,2,5-thiadiazol-3-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride

7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-6-fluoro-4-oxo-1-(1,2,5-thiadiazol-3-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride (PubChem CID 70205691) has the molecular formula C18H18ClFN6O4S and a molecular weight of 468.90 g/mol. Its IUPAC name is 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-6-fluoro-4-oxo-1-(1,2,5-thiadiazol-3-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-6-fluoro-4-oxo-1-(1,2,5-thiadiazol-3-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
• PubChem CID: 70205691
• Molecular Formula: C18H18ClFN6O4S
• Molecular Weight: 468.90 g/mol
• Exact Mass: 468.08
• IUPAC Name: 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-6-fluoro-4-oxo-1-(1,2,5-thiadiazol-3-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
• SMILES: Cl.NCC12CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3cnsn3)CC1CCO2
• InChI: InChI=1S/C18H17FN6O4S.ClH/c19-12-3-10-14(26)11(17(27)28)6-25(13-4-21-30-23-13)15(10)22-16(12)24-5-9-1-2-29-18(9,7-20)8-24;/h3-4,6,9H,1-2,5,7-8,20H2,(H,27,28);1H
• InChIKey: UVZTVMRPYGSCEE-UHFFFAOYSA-N
• XLogP: 1.05
• TPSA: 136.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.90
LogP ≤ 5	1.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-6-fluoro-4-oxo-1-(1,2,5-thiadiazol-3-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

The IUPAC name of 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-6-fluoro-4-oxo-1-(1,2,5-thiadiazol-3-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride (CID 70205691) is 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-6-fluoro-4-oxo-1-(1,2,5-thiadiazol-3-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride.

What is the SMILES notation for 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-6-fluoro-4-oxo-1-(1,2,5-thiadiazol-3-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

The canonical SMILES for 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-6-fluoro-4-oxo-1-(1,2,5-thiadiazol-3-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride is Cl.NCC12CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3cnsn3)CC1CCO2.

What is the InChIKey of 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-6-fluoro-4-oxo-1-(1,2,5-thiadiazol-3-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

The InChIKey is UVZTVMRPYGSCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O4S.ClH/c19-12-3-10-14(26)11(17(27)28)6-25(13-4-21-30-23-13)15(10)22-16(12)24-5-9-1-2-29-18(9,7-20)8-24;/h3-4,6,9H,1-2,5,7-8,20H2,(H,27,28);1H.

What are the key properties of 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-6-fluoro-4-oxo-1-(1,2,5-thiadiazol-3-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride?

7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-6-fluoro-4-oxo-1-(1,2,5-thiadiazol-3-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride has a molecular weight of 468.90 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[6a-(aminomethyl)-3,3a,4,6-tetrahydro-2H-furo[2,3-c]pyrrol-5-yl]-6-fluoro-4-oxo-1-(1,2,5-thiadiazol-3-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 70205691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).