5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

C18H18F2N2O4 — CID 71284465

IUPAC5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CC[C@@H](F)C3)cc2F)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C18H18F2N2O4/c1-2-11-15(21-17(24)14(16(11)23)18(25)26)12-4-3-10(7-13(12)20)22-6-5-9(19)8-22/h3-4,7,9H,2,5-6,8H2,1H3,(H,25,26)(H2,21,23,24)/t9-/m1/s1
InChIKeyGGSXAPRIYOXRQL-SECBINFHSA-N
MW364.35 g/mol
LogP2.70
Rot. Bonds4

About 5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71284465) has the molecular formula C18H18F2N2O4 and a molecular weight of 364.35 g/mol. Its IUPAC name is 5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71284465
Molecular FormulaC18H18F2N2O4
Molecular Weight364.35 g/mol
Exact Mass364.12
IUPAC Name5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc(N3CC[C@@H](F)C3)cc2F)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C18H18F2N2O4/c1-2-11-15(21-17(24)14(16(11)23)18(25)26)12-4-3-10(7-13(12)20)22-6-5-9(19)8-22/h3-4,7,9H,2,5-6,8H2,1H3,(H,25,26)(H2,21,23,24)/t9-/m1/s1
InChIKeyGGSXAPRIYOXRQL-SECBINFHSA-N
XLogP2.70
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 71285393
6-[4-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 123664857
6-[4-[(3aR,4R,6aS)-4-(dimethylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284663
6-[4-(dimethylamino)-2-fluorophenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methoxy-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methoxy-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methyl-4-piperidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 159937717
6-[4-[(3R,4R)-3-[(dibenzylamino)methyl]-4-methylpyrrolidin-1-yl]phenyl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71281915
9-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-4-hydroxy-5-methyl-2-oxo-5,6-dihydro-1H-[1]benzoxepino[5,4-b]pyridine-3-carboxylic acid
CID 123514544
6-[4-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-2-methylphenyl]-4-hydroxy-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 71292573
5-ethyl-4-hydroxy-2-oxo-6-(5-pyrrolidin-1-ylpyrazin-2-yl)-1H-pyridine-3-carboxylic acid
CID 71284376
6-(2-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;hydrochloride
CID 71284408
6-[(2S,3S)-2-(aminomethyl)-3-(methylamino)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284172
6-[4-(azetidin-1-yl)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(5-morpholin-4-yl-2-pyridinyl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(4-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 118949133
5-ethyl-6-[2-[ethyl(methyl)amino]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-7-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 71284781

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid (CID 71284465) is 5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc(N3CC[C@@H](F)C3)cc2F)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is GGSXAPRIYOXRQL-SECBINFHSA-N. The full InChI is InChI=1S/C18H18F2N2O4/c1-2-11-15(21-17(24)14(16(11)23)18(25)26)12-4-3-10(7-13(12)20)22-6-5-9(19)8-22/h3-4,7,9H,2,5-6,8H2,1H3,(H,25,26)(H2,21,23,24)/t9-/m1/s1.
What are the key properties of 5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 364.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[2-fluoro-4-[(3R)-3-fluoropyrrolidin-1-yl]phenyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).