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

C23H26FN3O3 — CID 71285134

IUPAC5-ethyl-6-[7-fluoro-1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1cc(F)c2c(c1)cc(CN1CCCCC1)n2C
InChIInChI=1S/C23H26FN3O3/c1-3-14-11-18(23(29)30)22(28)25-20(14)15-9-16-10-17(13-27-7-5-4-6-8-27)26(2)21(16)19(24)12-15/h9-12H,3-8,13H2,1-2H3,(H,25,28)(H,29,30)
InChIKeySBGCBSCKJJFYAF-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.92
Rot. Bonds5

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

5-ethyl-6-[7-fluoro-1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71285134) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is 5-ethyl-6-[7-fluoro-1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6-[7-fluoro-1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71285134
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name5-ethyl-6-[7-fluoro-1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1cc(F)c2c(c1)cc(CN1CCCCC1)n2C
InChIInChI=1S/C23H26FN3O3/c1-3-14-11-18(23(29)30)22(28)25-20(14)15-9-16-10-17(13-27-7-5-4-6-8-27)26(2)21(16)19(24)12-15/h9-12H,3-8,13H2,1-2H3,(H,25,28)(H,29,30)
InChIKeySBGCBSCKJJFYAF-UHFFFAOYSA-N
XLogP3.92
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[7-fluoro-1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-6-[7-fluoro-1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 71285134) is 5-ethyl-6-[7-fluoro-1-methyl-2-(piperidin-1-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-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-6-[7-fluoro-1-methyl-2-(piperidin-1-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(CN1CCCCC1)n2C.
What is the InChIKey of 5-ethyl-6-[7-fluoro-1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is SBGCBSCKJJFYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-3-14-11-18(23(29)30)22(28)25-20(14)15-9-16-10-17(13-27-7-5-4-6-8-27)26(2)21(16)19(24)12-15/h9-12H,3-8,13H2,1-2H3,(H,25,28)(H,29,30).
What are the key properties of 5-ethyl-6-[7-fluoro-1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
5-ethyl-6-[7-fluoro-1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 411.48 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[7-fluoro-1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71285134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).