1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C19H21FN4O3 — CID 23276862

About 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 23276862) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 23276862
• Molecular Formula: C19H21FN4O3
• Molecular Weight: 372.40 g/mol
• Exact Mass: 372.16
• IUPAC Name: 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1c(F)c(N2C3CNC(C3)C2C)nc2c1c(=O)c(C(=O)O)cn2C1CC1
• InChI: InChI=1S/C19H21FN4O3/c1-8-14-16(25)12(19(26)27)7-23(10-3-4-10)17(14)22-18(15(8)20)24-9(2)13-5-11(24)6-21-13/h7,9-11,13,21H,3-6H2,1-2H3,(H,26,27)
• InChIKey: CCCYWWZTVYYXER-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 87.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.40
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 23276862) is 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is Cc1c(F)c(N2C3CNC(C3)C2C)nc2c1c(=O)c(C(=O)O)cn2C1CC1.

What is the InChIKey of 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is CCCYWWZTVYYXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-8-14-16(25)12(19(26)27)7-23(10-3-4-10)17(14)22-18(15(8)20)24-9(2)13-5-11(24)6-21-13/h7,9-11,13,21H,3-6H2,1-2H3,(H,26,27).

What are the key properties of 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?

1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 372.40 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-6-fluoro-5-methyl-7-(3-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 23276862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).