7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid

C19H14F3N3O5 — CID 135354990

IUPAC7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3C[C@@H](O)[C@@H](O)C3)ccc2c1=O
InChIInChI=1S/C19H14F3N3O5/c20-8-3-11(21)16(12(22)4-8)25-5-10(19(29)30)17(28)9-1-2-15(23-18(9)25)24-6-13(26)14(27)7-24/h1-5,13-14,26-27H,6-7H2,(H,29,30)/t13-,14+
InChIKeyRAFMAKQKKWDECJ-OKILXGFUSA-N
MW421.33 g/mol
LogP1.04
Rot. Bonds3

About 7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid

7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 135354990) has the molecular formula C19H14F3N3O5 and a molecular weight of 421.33 g/mol. Its IUPAC name is 7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID135354990
Molecular FormulaC19H14F3N3O5
Molecular Weight421.33 g/mol
Exact Mass421.09
IUPAC Name7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3C[C@@H](O)[C@@H](O)C3)ccc2c1=O
InChIInChI=1S/C19H14F3N3O5/c20-8-3-11(21)16(12(22)4-8)25-5-10(19(29)30)17(28)9-1-2-15(23-18(9)25)24-6-13(26)14(27)7-24/h1-5,13-14,26-27H,6-7H2,(H,29,30)/t13-,14+
InChIKeyRAFMAKQKKWDECJ-OKILXGFUSA-N
XLogP1.04
TPSA115.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

7-[4,4-bis(hydroxymethyl)piperidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 155051431
7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 145203131
7-(4-amino-1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 67784720
7-[(1S,6R,8S)-8-amino-3-azabicyclo[4.2.0]octan-3-yl]-1-(2,4-difluorophenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54083331
1-(3,5-difluoro-2-pyridinyl)-7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 134346790
1-(3,5-difluoro-2-pyridinyl)-7-[(3R)-3,4-dihydroxypyrrolidin-1-yl]-N-(1,1,1,4,4,4-hexafluorobutan-2-yl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 163992922
1-(2,4-difluorophenyl)-7-(3,4-dihydroxypyrrolidin-1-yl)-4-oxo-N-(1,1,1-trifluorobutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 155051387
N-(2,6-dichlorophenyl)-1-(3,5-difluoro-2-pyridinyl)-7-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 134181889
N-(2,6-dichlorophenyl)-7-(2-hydroxyimidazolidin-1-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 155051295
7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-4-oxo-N-[(1S)-1-phenylethyl]-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134360118
7-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-6-fluoro-N-(3-methylpentan-3-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134346781
7-(3,4-dihydroxypyrrolidin-1-yl)-6-fluoro-N-(2-methylbutan-2-yl)-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxamide
CID 134360152

Frequently Asked Questions

What is the IUPAC name of 7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid (CID 135354990) is 7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid is O=C(O)c1cn(-c2c(F)cc(F)cc2F)c2nc(N3C[C@@H](O)[C@@H](O)C3)ccc2c1=O.
What is the InChIKey of 7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is RAFMAKQKKWDECJ-OKILXGFUSA-N. The full InChI is InChI=1S/C19H14F3N3O5/c20-8-3-11(21)16(12(22)4-8)25-5-10(19(29)30)17(28)9-1-2-15(23-18(9)25)24-6-13(26)14(27)7-24/h1-5,13-14,26-27H,6-7H2,(H,29,30)/t13-,14+.
What are the key properties of 7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid?
7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 421.33 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-4-oxo-1-(2,4,6-trifluorophenyl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 135354990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).