6-[(5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid

C20H16N2O3S — CID 50907864

IUPAC6-[(5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc2c(c1)cc(-c1ccsc1)n2Cc1cccc(C(=O)O)n1
InChIInChI=1S/C20H16N2O3S/c1-25-16-5-6-18-14(9-16)10-19(13-7-8-26-12-13)22(18)11-15-3-2-4-17(21-15)20(23)24/h2-10,12H,11H2,1H3,(H,23,24)
InChIKeyHZELXPSZKJJBLK-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.52
Rot. Bonds5

About 6-[(5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid

6-[(5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 50907864) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 6-[(5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid
PubChem CID50907864
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name6-[(5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid
SMILESCOc1ccc2c(c1)cc(-c1ccsc1)n2Cc1cccc(C(=O)O)n1
InChIInChI=1S/C20H16N2O3S/c1-25-16-5-6-18-14(9-16)10-19(13-7-8-26-12-13)22(18)11-15-3-2-4-17(21-15)20(23)24/h2-10,12H,11H2,1H3,(H,23,24)
InChIKeyHZELXPSZKJJBLK-UHFFFAOYSA-N
XLogP4.52
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid (CID 50907864) is 6-[(5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid is COc1ccc2c(c1)cc(-c1ccsc1)n2Cc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[(5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is HZELXPSZKJJBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-25-16-5-6-18-14(9-16)10-19(13-7-8-26-12-13)22(18)11-15-3-2-4-17(21-15)20(23)24/h2-10,12H,11H2,1H3,(H,23,24).
What are the key properties of 6-[(5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid?
6-[(5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 364.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methoxy-2-thiophen-3-ylindol-1-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 50907864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).