3-(3,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid

C19H19NO4S — CID 139651752

IUPAC3-(3,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)sc3nc(C(C)C)ccc23)cc1OC
InChIInChI=1S/C19H19NO4S/c1-10(2)13-7-6-12-16(17(19(21)22)25-18(12)20-13)11-5-8-14(23-3)15(9-11)24-4/h5-10H,1-4H3,(H,21,22)
InChIKeyZJAIAOKOXVHHCL-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.80
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid

3-(3,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 139651752) has the molecular formula C19H19NO4S and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID139651752
Molecular FormulaC19H19NO4S
Molecular Weight357.43 g/mol
Exact Mass357.10
IUPAC Name3-(3,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2c(C(=O)O)sc3nc(C(C)C)ccc23)cc1OC
InChIInChI=1S/C19H19NO4S/c1-10(2)13-7-6-12-16(17(19(21)22)25-18(12)20-13)11-5-8-14(23-3)15(9-11)24-4/h5-10H,1-4H3,(H,21,22)
InChIKeyZJAIAOKOXVHHCL-UHFFFAOYSA-N
XLogP4.80
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylic acid
CID 3434675
methyl 3-[4-[3-(dimethylamino)propoxy]phenyl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylate
CID 139651763
4-(3,4-dimethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133695
6-(3,4-dimethoxyphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035666
5-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-2-carboxylic acid
CID 94701090
3-amino-N-[3-carbamoyl-4-(4-methoxyphenyl)thiophen-2-yl]-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23861077
2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole
CID 112690133
4-(3,4-dimethoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82302560
6-(3,4-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914193
2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 98032866
3-amino-N-(3,4-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 118940972
3-amino-6-(3,4-dimethoxyphenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 2011209

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid (CID 139651752) is 3-(3,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid is COc1ccc(-c2c(C(=O)O)sc3nc(C(C)C)ccc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is ZJAIAOKOXVHHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4S/c1-10(2)13-7-6-12-16(17(19(21)22)25-18(12)20-13)11-5-8-14(23-3)15(9-11)24-4/h5-10H,1-4H3,(H,21,22).
What are the key properties of 3-(3,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid?
3-(3,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 357.43 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 139651752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).