3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid

C20H19FN2O2 — CID 514291

IUPAC3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid
SMILESCn1c(-c2ccc(F)cn2)c(C2CCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C20H19FN2O2/c1-23-17-10-13(20(24)25)6-8-15(17)18(12-4-2-3-5-12)19(23)16-9-7-14(21)11-22-16/h6-12H,2-5H2,1H3,(H,24,25)
InChIKeyWNBFWZHYLJNCLL-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.74
Rot. Bonds3

About 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid

3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid (PubChem CID 514291) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid
PubChem CID514291
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid
SMILESCn1c(-c2ccc(F)cn2)c(C2CCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C20H19FN2O2/c1-23-17-10-13(20(24)25)6-8-15(17)18(12-4-2-3-5-12)19(23)16-9-7-14(21)11-22-16/h6-12H,2-5H2,1H3,(H,24,25)
InChIKeyWNBFWZHYLJNCLL-UHFFFAOYSA-N
XLogP4.74
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid?
The IUPAC name of 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid (CID 514291) is 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid is Cn1c(-c2ccc(F)cn2)c(C2CCCC2)c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid?
The InChIKey is WNBFWZHYLJNCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-23-17-10-13(20(24)25)6-8-15(17)18(12-4-2-3-5-12)19(23)16-9-7-14(21)11-22-16/h6-12H,2-5H2,1H3,(H,24,25).
What are the key properties of 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid?
3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid has a molecular weight of 338.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(5-fluoro-2-pyridinyl)-1-methylindole-6-carboxylic acid is sourced from PubChem (CID 514291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).