2-[2-methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid

C20H21NO2S — CID 71526738

IUPAC2-[2-methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid
SMILESCCCC(C(=O)O)c1cnc2sc(C)cc2c1-c1ccc(C)cc1
InChIInChI=1S/C20H21NO2S/c1-4-5-15(20(22)23)17-11-21-19-16(10-13(3)24-19)18(17)14-8-6-12(2)7-9-14/h6-11,15H,4-5H2,1-3H3,(H,22,23)
InChIKeyNLQXMRBZYMCREK-UHFFFAOYSA-N
MW339.46 g/mol
LogP5.55
Rot. Bonds5

About 2-[2-methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid

2-[2-methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid (PubChem CID 71526738) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid.

Molecular Properties

Compound Name2-[2-methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid
PubChem CID71526738
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC Name2-[2-methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid
SMILESCCCC(C(=O)O)c1cnc2sc(C)cc2c1-c1ccc(C)cc1
InChIInChI=1S/C20H21NO2S/c1-4-5-15(20(22)23)17-11-21-19-16(10-13(3)24-19)18(17)14-8-6-12(2)7-9-14/h6-11,15H,4-5H2,1-3H3,(H,22,23)
InChIKeyNLQXMRBZYMCREK-UHFFFAOYSA-N
XLogP5.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.46
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-Methylphenyl)-2-(pyridin-3-yl)-1,3-thiazol-5-yl]acetic acid
CID 1955694
Puliginurad
CID 122582049
2-Phenyl-7-pyridin-3-yl-7-thiophen-2-yl-hept-6-enoic acid
CID 13417299
(Z)-2-phenyl-7-pyridin-3-yl-7-thiophen-2-ylhept-6-enoic acid
CID 13417300
2-(2-(Bis(4-fluorophenyl)methyl)-4-(2-methylpyridin-4-yl)thiazol-5-yl)acetic acid
CID 16118987
CX14442 Sodium
CID 71526739
2-[4-(4-methylphenyl)-2-pyridin-2-yl-1,3-thiazol-5-yl]acetic Acid
CID 2118147
2-Cyclopentyl-4-(5-phenylthieno[2,3-b]pyridin-3-yl)benzoic acid
CID 164627632
4-Phenylthieno[2,3-c]pyridine-2-carboxylic acid
CID 49830794
3-Cyclopropyl-2-[2-methyl-4-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridin-3-yl]propanoic acid
CID 49805250
(2S)-2-[2-methyl-4-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridin-3-yl]pentanoic acid
CID 66597200
2-[2-Methyl-4-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-b]pyridin-3-yl]pentanoic acid
CID 66597260

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid?
The IUPAC name of 2-[2-methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid (CID 71526738) is 2-[2-methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid.
What is the SMILES notation for 2-[2-methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid?
The canonical SMILES for 2-[2-methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid is CCCC(C(=O)O)c1cnc2sc(C)cc2c1-c1ccc(C)cc1.
What is the InChIKey of 2-[2-methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid?
The InChIKey is NLQXMRBZYMCREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-4-5-15(20(22)23)17-11-21-19-16(10-13(3)24-19)18(17)14-8-6-12(2)7-9-14/h6-11,15H,4-5H2,1-3H3,(H,22,23).
What are the key properties of 2-[2-methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid?
2-[2-methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid has a molecular weight of 339.46 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(4-methylphenyl)thieno[2,3-b]pyridin-5-yl]pentanoic acid is sourced from PubChem (CID 71526738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).