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

C20H18FN5O3 — CID 77257932

IUPAC7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccccn2)c2nc(N3CC4CC3CN4)c(F)cc2c1=O
InChIInChI=1S/C20H18FN5O3/c21-16-6-14-17(27)15(20(28)29)10-25(8-11-3-1-2-4-22-11)18(14)24-19(16)26-9-12-5-13(26)7-23-12/h1-4,6,10,12-13,23H,5,7-9H2,(H,28,29)
InChIKeyLDRYQZQYRQTDFI-UHFFFAOYSA-N
MW395.39 g/mol
LogP1.23
Rot. Bonds4

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

7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 77257932) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID77257932
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccccn2)c2nc(N3CC4CC3CN4)c(F)cc2c1=O
InChIInChI=1S/C20H18FN5O3/c21-16-6-14-17(27)15(20(28)29)10-25(8-11-3-1-2-4-22-11)18(14)24-19(16)26-9-12-5-13(26)7-23-12/h1-4,6,10,12-13,23H,5,7-9H2,(H,28,29)
InChIKeyLDRYQZQYRQTDFI-UHFFFAOYSA-N
XLogP1.23
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylic acid with MolForge

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Related Compounds

7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(5-methylpyrazin-2-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67274844
1-[[3-(aminomethyl)phenyl]methyl]-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 73082324
7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridine-3-carboxylic acid
CID 77257861
7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1-[(3,5-dimethoxyphenyl)methyl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 77258034
7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methylsulfanylphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67275956
7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-[(2-methoxyphenyl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67275247
1-[(3-aminophenyl)methyl]-7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 67275133
1-cyclopropyl-7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 75106410
1-tert-butyl-7-[(1S,4S)-2,5-diazabicyclo[2.2.2]octan-2-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 14612516
ethane;1-ethyl-6-fluoro-7-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 142486835
7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid
CID 14014825
1-[(2,4-dimethoxyphenyl)methyl]-6-fluoro-7-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 11843542

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylic acid (CID 77257932) is 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(Cc2ccccn2)c2nc(N3CC4CC3CN4)c(F)cc2c1=O.
What is the InChIKey of 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is LDRYQZQYRQTDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c21-16-6-14-17(27)15(20(28)29)10-25(8-11-3-1-2-4-22-11)18(14)24-19(16)26-9-12-5-13(26)7-23-12/h1-4,6,10,12-13,23H,5,7-9H2,(H,28,29).
What are the key properties of 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylic acid?
7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 395.39 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-6-fluoro-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 77257932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).