2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid

C17H11NO3S2 — CID 22143506

IUPAC2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid
SMILESCc1sc2cc(Oc3ccnc4ccsc34)ccc2c1C(=O)O
InChIInChI=1S/C17H11NO3S2/c1-9-15(17(19)20)11-3-2-10(8-14(11)23-9)21-13-4-6-18-12-5-7-22-16(12)13/h2-8H,1H3,(H,19,20)
InChIKeyLRTRIKKCTKORGD-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.31
Rot. Bonds3

About 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid

2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid (PubChem CID 22143506) has the molecular formula C17H11NO3S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid
PubChem CID22143506
Molecular FormulaC17H11NO3S2
Molecular Weight341.41 g/mol
Exact Mass341.02
IUPAC Name2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid
SMILESCc1sc2cc(Oc3ccnc4ccsc34)ccc2c1C(=O)O
InChIInChI=1S/C17H11NO3S2/c1-9-15(17(19)20)11-3-2-10(8-14(11)23-9)21-13-4-6-18-12-5-7-22-16(12)13/h2-8H,1H3,(H,19,20)
InChIKeyLRTRIKKCTKORGD-UHFFFAOYSA-N
XLogP5.31
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxylic acid
CID 59990789
2-ethyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxylic acid
CID 22143637
6-(6-hydroxyquinolin-4-yl)oxy-N,2-dimethyl-1-benzothiophene-3-carboxamide;methane
CID 158659942
N-cyclopropyl-2-methyl-6-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
CID 20767906
N,2-dimethyl-6-[2-(2-methylpyrazol-3-yl)thieno[3,2-b]pyridin-7-yl]oxy-1-benzothiophene-3-carboxamide
CID 10025936
(1-carbamoylcycloprop-2-en-1-yl) 6-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxylate
CID 90738790
7-(4-fluorophenoxy)thieno[3,2-b]pyridine
CID 73354059
1,2-dimethyl-6-(2-pyrimidin-2-ylthieno[3,2-b]pyridin-7-yl)oxyindole-3-carboxylic acid
CID 22143593
6-(7-methoxyquinolin-4-yl)oxy-2-methyl-N-(3-morpholin-4-ylpropyl)-1-benzothiophene-3-carboxamide
CID 11431839
N-(3-hydroxypropyl)-6-[2-[(3R)-3-methoxypyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide
CID 59990759
N-(3-hydroxypropyl)-6-[2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-2-methyl-1-benzothiophene-3-carboxamide
CID 59990785
7-[(6-methyl-3-pyridinyl)oxy]thieno[3,2-b]pyridine-5-carboxylic acid
CID 130352513

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid?
The IUPAC name of 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid (CID 22143506) is 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid is Cc1sc2cc(Oc3ccnc4ccsc34)ccc2c1C(=O)O.
What is the InChIKey of 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid?
The InChIKey is LRTRIKKCTKORGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3S2/c1-9-15(17(19)20)11-3-2-10(8-14(11)23-9)21-13-4-6-18-12-5-7-22-16(12)13/h2-8H,1H3,(H,19,20).
What are the key properties of 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid?
2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-thieno[3,2-b]pyridin-7-yloxy-1-benzothiophene-3-carboxylic acid is sourced from PubChem (CID 22143506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).