2-(4-carboxy-2-pyridinyl)-6-[4-[5-[5-(5-methylthiophen-2-yl)furan-2-yl]thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid

C30H19N3O5S2 — CID 145055147

IUPAC2-(4-carboxy-2-pyridinyl)-6-[4-[5-[5-(5-methylthiophen-2-yl)furan-2-yl]thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccnc(-c5cc(C(=O)O)cc(-c6cc(C(=O)O)ccn6)n5)c4)s3)o2)s1
InChIInChI=1S/C30H19N3O5S2/c1-16-2-5-27(39-16)24-3-4-25(38-24)28-7-6-26(40-28)17-8-10-31-20(12-17)22-14-19(30(36)37)15-23(33-22)21-13-18(29(34)35)9-11-32-21/h2-15H,1H3,(H,34,35)(H,36,37)
InChIKeyCOQRERXNNCWVAW-UHFFFAOYSA-N
MW565.63 g/mol
LogP7.63
Rot. Bonds7

About 2-(4-carboxy-2-pyridinyl)-6-[4-[5-[5-(5-methylthiophen-2-yl)furan-2-yl]thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid

2-(4-carboxy-2-pyridinyl)-6-[4-[5-[5-(5-methylthiophen-2-yl)furan-2-yl]thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid (PubChem CID 145055147) has the molecular formula C30H19N3O5S2 and a molecular weight of 565.63 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)-6-[4-[5-[5-(5-methylthiophen-2-yl)furan-2-yl]thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)-6-[4-[5-[5-(5-methylthiophen-2-yl)furan-2-yl]thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid
PubChem CID145055147
Molecular FormulaC30H19N3O5S2
Molecular Weight565.63 g/mol
Exact Mass565.08
IUPAC Name2-(4-carboxy-2-pyridinyl)-6-[4-[5-[5-(5-methylthiophen-2-yl)furan-2-yl]thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccnc(-c5cc(C(=O)O)cc(-c6cc(C(=O)O)ccn6)n5)c4)s3)o2)s1
InChIInChI=1S/C30H19N3O5S2/c1-16-2-5-27(39-16)24-3-4-25(38-24)28-7-6-26(40-28)17-8-10-31-20(12-17)22-14-19(30(36)37)15-23(33-22)21-13-18(29(34)35)9-11-32-21/h2-15H,1H3,(H,34,35)(H,36,37)
InChIKeyCOQRERXNNCWVAW-UHFFFAOYSA-N
XLogP7.63
TPSA126.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.63
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(4-carboxy-2-pyridinyl)-6-[4-[5-[5-(5-methylthiophen-2-yl)furan-2-yl]thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

5-[4-[3-[(3-methylthiophene-2-carbonyl)amino]phenoxy]-2-pyridinyl]-1H-pyrrole-3-carboxylic acid
CID 51001709
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
Ruthenium(II)
CID 166593992
4-[4-[4-[3-(2-Fluoro-5-methylphenyl)-2-oxopropyl]phenoxy]-2-pyridinyl]thiophene-2-carboxylic acid
CID 58167886
2-(4-carboxypyridin-2-yl)-6-[4-[5-[(Z)-4,4,4-trifluoro-3-imino-1-(methylamino)but-1-enyl]thieno[3,2-b]thiophen-2-yl]pyridin-2-yl]pyridine-4-carboxylic acid
CID 145055128
2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ruthenium(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridinyl]but-1-enyl]azanide;thiocyanate
CID 145155816
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[4-[5-[5-(5-methylthiophen-2-yl)furan-2-yl]thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[4-[5-[5-(5-methylthiophen-2-yl)furan-2-yl]thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid (CID 145055147) is 2-(4-carboxy-2-pyridinyl)-6-[4-[5-[5-(5-methylthiophen-2-yl)furan-2-yl]thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)-6-[4-[5-[5-(5-methylthiophen-2-yl)furan-2-yl]thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)-6-[4-[5-[5-(5-methylthiophen-2-yl)furan-2-yl]thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid is Cc1ccc(-c2ccc(-c3ccc(-c4ccnc(-c5cc(C(=O)O)cc(-c6cc(C(=O)O)ccn6)n5)c4)s3)o2)s1.
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)-6-[4-[5-[5-(5-methylthiophen-2-yl)furan-2-yl]thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid?
The InChIKey is COQRERXNNCWVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3O5S2/c1-16-2-5-27(39-16)24-3-4-25(38-24)28-7-6-26(40-28)17-8-10-31-20(12-17)22-14-19(30(36)37)15-23(33-22)21-13-18(29(34)35)9-11-32-21/h2-15H,1H3,(H,34,35)(H,36,37).
What are the key properties of 2-(4-carboxy-2-pyridinyl)-6-[4-[5-[5-(5-methylthiophen-2-yl)furan-2-yl]thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid?
2-(4-carboxy-2-pyridinyl)-6-[4-[5-[5-(5-methylthiophen-2-yl)furan-2-yl]thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid has a molecular weight of 565.63 g/mol, XLogP of 7.63, 7 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-[5-(5-methylthiophen-2-yl)furan-2-yl]thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 145055147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).