4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid

C15H14N2O3S — CID 686887

IUPAC4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCOCc1cc(C)nc2sc(C(=O)O)c(-n3cccc3)c12
InChIInChI=1S/C15H14N2O3S/c1-9-7-10(8-20-2)11-12(17-5-3-4-6-17)13(15(18)19)21-14(11)16-9/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyYQXAVQZFNHDKRS-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.24
Rot. Bonds4

About 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid

4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 686887) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID686887
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCOCc1cc(C)nc2sc(C(=O)O)c(-n3cccc3)c12
InChIInChI=1S/C15H14N2O3S/c1-9-7-10(8-20-2)11-12(17-5-3-4-6-17)13(15(18)19)21-14(11)16-9/h3-7H,8H2,1-2H3,(H,18,19)
InChIKeyYQXAVQZFNHDKRS-UHFFFAOYSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid (CID 686887) is 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid is COCc1cc(C)nc2sc(C(=O)O)c(-n3cccc3)c12.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is YQXAVQZFNHDKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-9-7-10(8-20-2)11-12(17-5-3-4-6-17)13(15(18)19)21-14(11)16-9/h3-7H,8H2,1-2H3,(H,18,19).
What are the key properties of 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid?
4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 686887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).