2-(4-carboxy-2-pyridinyl)-6-[4-(5-thieno[2,3-b]thiophen-5-ylfuran-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid

C27H15N3O5S2 — CID 145055115

IUPAC2-(4-carboxy-2-pyridinyl)-6-[4-(5-thieno[2,3-b]thiophen-5-ylfuran-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(-c4ccc(-c5cc6ccsc6s5)o4)ccn3)n2)c1
InChIInChI=1S/C27H15N3O5S2/c31-25(32)15-4-7-29-19(10-15)21-12-17(26(33)34)11-20(30-21)18-9-14(3-6-28-18)22-1-2-23(35-22)24-13-16-5-8-36-27(16)37-24/h1-13H,(H,31,32)(H,33,34)
InChIKeyCTNOQNAJVDXYRN-UHFFFAOYSA-N
MW525.57 g/mol
LogP6.81
Rot. Bonds6

About 2-(4-carboxy-2-pyridinyl)-6-[4-(5-thieno[2,3-b]thiophen-5-ylfuran-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid

2-(4-carboxy-2-pyridinyl)-6-[4-(5-thieno[2,3-b]thiophen-5-ylfuran-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid (PubChem CID 145055115) has the molecular formula C27H15N3O5S2 and a molecular weight of 525.57 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)-6-[4-(5-thieno[2,3-b]thiophen-5-ylfuran-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)-6-[4-(5-thieno[2,3-b]thiophen-5-ylfuran-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid
PubChem CID145055115
Molecular FormulaC27H15N3O5S2
Molecular Weight525.57 g/mol
Exact Mass525.05
IUPAC Name2-(4-carboxy-2-pyridinyl)-6-[4-(5-thieno[2,3-b]thiophen-5-ylfuran-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(-c4ccc(-c5cc6ccsc6s5)o4)ccn3)n2)c1
InChIInChI=1S/C27H15N3O5S2/c31-25(32)15-4-7-29-19(10-15)21-12-17(26(33)34)11-20(30-21)18-9-14(3-6-28-18)22-1-2-23(35-22)24-13-16-5-8-36-27(16)37-24/h1-13H,(H,31,32)(H,33,34)
InChIKeyCTNOQNAJVDXYRN-UHFFFAOYSA-N
XLogP6.81
TPSA126.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.57
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(4-carboxy-2-pyridinyl)-6-[4-(5-thieno[2,3-b]thiophen-5-ylfuran-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
4-[[5-(6-Methoxy-3-pyridinyl)-2-pyridinyl]methyl]-7-oxothieno[3,2-b]pyridine-6-carboxylic acid
CID 46886022
4-(5-Chlorofuran-2-yl)-2-pyridin-2-yl-6-thiophen-3-ylpyridine
CID 46229276
2-(4-carboxy-2H-pyridin-1-id-2-yl)-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(3+);[(Z)-4,4,4-trifluoro-3-imino-1-[5-(5-propoxythiophen-2-yl)-2-pyridinyl]but-1-enyl]azanide;thiocyanate
CID 145155833
4-[3-[(5-Fluoro-3-pyridinyl)methoxy]-2-pyridinyl]thiophene-2-carboxylic acid
CID 169144279
2-[6-(2,4-Difluorophenyl)-4-(3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl)-2-pyridinyl]pyridine-4-carboxylic acid
CID 145580774
2-[[4-[2,5-Dimethyl-4-(pyridin-2-ylmethyl)furan-3-yl]sulfanyl-2,5-dimethylfuran-3-yl]methyl]pyridine
CID 54225875
2-[6-(4-Carboxy-2-pyridinyl)-4-(furan-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid
CID 56642261
4-[[3-Cyano-4-(5-pyridin-3-ylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]benzoic acid
CID 57490628

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[4-(5-thieno[2,3-b]thiophen-5-ylfuran-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[4-(5-thieno[2,3-b]thiophen-5-ylfuran-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid (CID 145055115) is 2-(4-carboxy-2-pyridinyl)-6-[4-(5-thieno[2,3-b]thiophen-5-ylfuran-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)-6-[4-(5-thieno[2,3-b]thiophen-5-ylfuran-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)-6-[4-(5-thieno[2,3-b]thiophen-5-ylfuran-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc(C(=O)O)cc(-c3cc(-c4ccc(-c5cc6ccsc6s5)o4)ccn3)n2)c1.
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)-6-[4-(5-thieno[2,3-b]thiophen-5-ylfuran-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid?
The InChIKey is CTNOQNAJVDXYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15N3O5S2/c31-25(32)15-4-7-29-19(10-15)21-12-17(26(33)34)11-20(30-21)18-9-14(3-6-28-18)22-1-2-23(35-22)24-13-16-5-8-36-27(16)37-24/h1-13H,(H,31,32)(H,33,34).
What are the key properties of 2-(4-carboxy-2-pyridinyl)-6-[4-(5-thieno[2,3-b]thiophen-5-ylfuran-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid?
2-(4-carboxy-2-pyridinyl)-6-[4-(5-thieno[2,3-b]thiophen-5-ylfuran-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid has a molecular weight of 525.57 g/mol, XLogP of 6.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-2-pyridinyl)-6-[4-(5-thieno[2,3-b]thiophen-5-ylfuran-2-yl)-2-pyridinyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 145055115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).