5-ethyl-6-[7-fluoro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

C22H24FN3O4 — CID 71284683

IUPAC5-ethyl-6-[7-fluoro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1cc(F)c2c(c1)cc(CN1CCOCC1)n2C
InChIInChI=1S/C22H24FN3O4/c1-3-13-10-17(22(28)29)21(27)24-19(13)14-8-15-9-16(12-26-4-6-30-7-5-26)25(2)20(15)18(23)11-14/h8-11H,3-7,12H2,1-2H3,(H,24,27)(H,28,29)
InChIKeyQWXRBGANZTVJGY-UHFFFAOYSA-N
MW413.45 g/mol
LogP2.77
Rot. Bonds5

About 5-ethyl-6-[7-fluoro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-6-[7-fluoro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71284683) has the molecular formula C22H24FN3O4 and a molecular weight of 413.45 g/mol. Its IUPAC name is 5-ethyl-6-[7-fluoro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-[7-fluoro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71284683
Molecular FormulaC22H24FN3O4
Molecular Weight413.45 g/mol
Exact Mass413.18
IUPAC Name5-ethyl-6-[7-fluoro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1cc(F)c2c(c1)cc(CN1CCOCC1)n2C
InChIInChI=1S/C22H24FN3O4/c1-3-13-10-17(22(28)29)21(27)24-19(13)14-8-15-9-16(12-26-4-6-30-7-5-26)25(2)20(15)18(23)11-14/h8-11H,3-7,12H2,1-2H3,(H,24,27)(H,28,29)
InChIKeyQWXRBGANZTVJGY-UHFFFAOYSA-N
XLogP2.77
TPSA87.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[7-fluoro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-6-[7-fluoro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 71284683) is 5-ethyl-6-[7-fluoro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-6-[7-fluoro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-6-[7-fluoro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1cc(F)c2c(c1)cc(CN1CCOCC1)n2C.
What is the InChIKey of 5-ethyl-6-[7-fluoro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is QWXRBGANZTVJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4/c1-3-13-10-17(22(28)29)21(27)24-19(13)14-8-15-9-16(12-26-4-6-30-7-5-26)25(2)20(15)18(23)11-14/h8-11H,3-7,12H2,1-2H3,(H,24,27)(H,28,29).
What are the key properties of 5-ethyl-6-[7-fluoro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-6-[7-fluoro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 413.45 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[7-fluoro-1-methyl-2-(morpholin-4-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71284683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).