2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one

C23H19N3O4S2 — CID 167489391

IUPAC2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one
SMILESCC1OC(=O)c2cc(-c3nccs3)cnc21.Cc1ccc(-c2cnc(C)c(C(=O)O)c2)s1
InChIInChI=1S/C12H11NO2S.C11H8N2O2S/c1-7-3-4-11(16-7)9-5-10(12(14)15)8(2)13-6-9;1-6-9-8(11(14)15-6)4-7(5-13-9)10-12-2-3-16-10/h3-6H,1-2H3,(H,14,15);2-6H,1H3
InChIKeyLIKXXUWMSCXLDB-UHFFFAOYSA-N
MW465.56 g/mol
LogP5.56
Rot. Bonds3

About 2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one

2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one (PubChem CID 167489391) has the molecular formula C23H19N3O4S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one
PubChem CID167489391
Molecular FormulaC23H19N3O4S2
Molecular Weight465.56 g/mol
Exact Mass465.08
IUPAC Name2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one
SMILESCC1OC(=O)c2cc(-c3nccs3)cnc21.Cc1ccc(-c2cnc(C)c(C(=O)O)c2)s1
InChIInChI=1S/C12H11NO2S.C11H8N2O2S/c1-7-3-4-11(16-7)9-5-10(12(14)15)8(2)13-6-9;1-6-9-8(11(14)15-6)4-7(5-13-9)10-12-2-3-16-10/h3-6H,1-2H3,(H,14,15);2-6H,1H3
InChIKeyLIKXXUWMSCXLDB-UHFFFAOYSA-N
XLogP5.56
TPSA102.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one with MolForge

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Related Compounds

Methyl 6-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-3-[(5-methylthiophene-2-carbonyl)amino]thieno[2,3-b]pyridine-2-carboxylate
CID 45489106
US20230348450, Example 49
CID 169320209
4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 686887
(5-Methyl-2-oxooxolan-3-yl) 4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxylate
CID 16275340
Ethyl 6-pyridin-3-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 2345862
Methyl 2-(difluoromethyl)-5-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3-carboxylate;pyridine-3-carboxylic acid;1,3-thiazole
CID 175717727
3-Amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylic acid
CID 96823157
Ethyl 3-amino-6-pyridin-3-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate
CID 139219256
Ethyl 3-amino-6-pyrazin-2-yl-4-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxylate
CID 170459401
2-Methyl-5-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-1-(oxolan-2-ylmethyl)pyrrole-3-carboxylic acid
CID 21893584
5-[2-(2-Ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methyl-1-(oxolan-2-ylmethyl)pyrrole-3-carboxylic acid
CID 21893661
5-[[4-[5-[(4-Heptan-4-ylphenoxy)methyl]thiophen-2-yl]-1,3-thiazol-2-yl]methoxy]pyridine-3-carboxylic acid
CID 58655819

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one?
The IUPAC name of 2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one (CID 167489391) is 2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one is CC1OC(=O)c2cc(-c3nccs3)cnc21.Cc1ccc(-c2cnc(C)c(C(=O)O)c2)s1.
What is the InChIKey of 2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one?
The InChIKey is LIKXXUWMSCXLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S.C11H8N2O2S/c1-7-3-4-11(16-7)9-5-10(12(14)15)8(2)13-6-9;1-6-9-8(11(14)15-6)4-7(5-13-9)10-12-2-3-16-10/h3-6H,1-2H3,(H,14,15);2-6H,1H3.
What are the key properties of 2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one?
2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one has a molecular weight of 465.56 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(5-methylthiophen-2-yl)pyridine-3-carboxylic acid;7-methyl-3-(1,3-thiazol-2-yl)-7H-furo[3,4-b]pyridin-5-one is sourced from PubChem (CID 167489391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).