1-cyclopropyl-6-fluoro-7-[8-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.4]oct-7-en-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

C24H28FN5O6 — CID 57298346

About 1-cyclopropyl-6-fluoro-7-[8-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.4]oct-7-en-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-cyclopropyl-6-fluoro-7-[8-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.4]oct-7-en-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 57298346) has the molecular formula C24H28FN5O6 and a molecular weight of 501.52 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-7-[8-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.4]oct-7-en-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-cyclopropyl-6-fluoro-7-[8-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.4]oct-7-en-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 57298346
• Molecular Formula: C24H28FN5O6
• Molecular Weight: 501.52 g/mol
• Exact Mass: 501.20
• IUPAC Name: 1-cyclopropyl-6-fluoro-7-[8-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.4]oct-7-en-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: CONC1=CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC12CN(C(=O)OC(C)(C)C)C2
• InChI: InChI=1S/C24H28FN5O6/c1-23(2,3)36-22(34)29-11-24(12-29)10-28(9-17(24)27-35-4)20-16(25)7-14-18(31)15(21(32)33)8-30(13-5-6-13)19(14)26-20/h7-9,13,27H,5-6,10-12H2,1-4H3,(H,32,33)
• InChIKey: UMMQINWYAOHERJ-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 126.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.52
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-7-[8-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.4]oct-7-en-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 1-cyclopropyl-6-fluoro-7-[8-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.4]oct-7-en-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 57298346) is 1-cyclopropyl-6-fluoro-7-[8-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.4]oct-7-en-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 1-cyclopropyl-6-fluoro-7-[8-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.4]oct-7-en-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 1-cyclopropyl-6-fluoro-7-[8-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.4]oct-7-en-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is CONC1=CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC12CN(C(=O)OC(C)(C)C)C2.

What is the InChIKey of 1-cyclopropyl-6-fluoro-7-[8-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.4]oct-7-en-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is UMMQINWYAOHERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O6/c1-23(2,3)36-22(34)29-11-24(12-29)10-28(9-17(24)27-35-4)20-16(25)7-14-18(31)15(21(32)33)8-30(13-5-6-13)19(14)26-20/h7-9,13,27H,5-6,10-12H2,1-4H3,(H,32,33).

What are the key properties of 1-cyclopropyl-6-fluoro-7-[8-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.4]oct-7-en-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid?

1-cyclopropyl-6-fluoro-7-[8-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.4]oct-7-en-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 501.52 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-6-fluoro-7-[8-(methoxyamino)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2,6-diazaspiro[3.4]oct-7-en-6-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 57298346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).