6-[6-[6-[6-carboxy-4-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methoxyphenyl)pyridine-2-carboxylic acid

C36H26N4O6 — CID 20811329

IUPAC6-[6-[6-[6-carboxy-4-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)nc(-c3cccc(-c4cccc(-c5cc(-c6ccc(OC)cc6)cc(C(=O)O)n5)n4)n3)c2)cc1
InChIInChI=1S/C36H26N4O6/c1-45-25-13-9-21(10-14-25)23-17-31(39-33(19-23)35(41)42)29-7-3-5-27(37-29)28-6-4-8-30(38-28)32-18-24(20-34(40-32)36(43)44)22-11-15-26(46-2)16-12-22/h3-20H,1-2H3,(H,41,42)(H,43,44)
InChIKeyWYPVLHFZHDWBDX-UHFFFAOYSA-N
MW610.63 g/mol
LogP7.02
Rot. Bonds9

About 6-[6-[6-[6-carboxy-4-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methoxyphenyl)pyridine-2-carboxylic acid

6-[6-[6-[6-carboxy-4-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methoxyphenyl)pyridine-2-carboxylic acid (PubChem CID 20811329) has the molecular formula C36H26N4O6 and a molecular weight of 610.63 g/mol. Its IUPAC name is 6-[6-[6-[6-carboxy-4-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methoxyphenyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[6-[6-[6-carboxy-4-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methoxyphenyl)pyridine-2-carboxylic acid
PubChem CID20811329
Molecular FormulaC36H26N4O6
Molecular Weight610.63 g/mol
Exact Mass610.19
IUPAC Name6-[6-[6-[6-carboxy-4-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methoxyphenyl)pyridine-2-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)nc(-c3cccc(-c4cccc(-c5cc(-c6ccc(OC)cc6)cc(C(=O)O)n5)n4)n3)c2)cc1
InChIInChI=1S/C36H26N4O6/c1-45-25-13-9-21(10-14-25)23-17-31(39-33(19-23)35(41)42)29-7-3-5-27(37-29)28-6-4-8-30(38-28)32-18-24(20-34(40-32)36(43)44)22-11-15-26(46-2)16-12-22/h3-20H,1-2H3,(H,41,42)(H,43,44)
InChIKeyWYPVLHFZHDWBDX-UHFFFAOYSA-N
XLogP7.02
TPSA144.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.63
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[6-[6-[6-carboxy-4-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methoxyphenyl)pyridine-2-carboxylic 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

4-(4-Methoxyphenyl)pyridine-2,6-dicarboxylic acid
CID 102499907
4-[1-(4-Methoxyphenyl)ethenyl]quinoline-2-carboxylic acid
CID 137648960
Methyl 4-[1-(4-methoxyphenyl)ethenyl]quinoline-2-carboxylate
CID 137653631
4-(3-Methoxyphenyl)pyridine-2,6-dicarboxylic acid
CID 137662024
6-[[2-[(6-Carboxy-2-pyridinyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl-[(4-methoxyphenyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 155527172
3-(4-Methoxyphenyl)quinoline-2,4-dicarboxylic acid
CID 718646
4-(4-Phenoxyphenyl)-6-(4-propan-2-yloxyphenyl)pyridine-2-carboxylic acid
CID 145967655
4-(4-Phenoxyphenyl)-6-phenylpyridine-2-carboxylic acid
CID 145968061
6-(4-Phenylmethoxyphenyl)-4-(4-propan-2-yloxyphenyl)pyridine-2-carboxylic acid
CID 145968358
4-(4-Phenoxyphenyl)-6-(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
CID 145968866
4,6-Bis(4-phenylmethoxyphenyl)pyridine-2-carboxylic acid
CID 145970652
6-(4-Methoxyphenyl)pyridine-2-carboxylic acid
CID 11564858

Frequently Asked Questions

What is the IUPAC name of 6-[6-[6-[6-carboxy-4-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methoxyphenyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-[6-[6-[6-carboxy-4-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methoxyphenyl)pyridine-2-carboxylic acid (CID 20811329) is 6-[6-[6-[6-carboxy-4-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methoxyphenyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[6-[6-[6-carboxy-4-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methoxyphenyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-[6-[6-[6-carboxy-4-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methoxyphenyl)pyridine-2-carboxylic acid is COc1ccc(-c2cc(C(=O)O)nc(-c3cccc(-c4cccc(-c5cc(-c6ccc(OC)cc6)cc(C(=O)O)n5)n4)n3)c2)cc1.
What is the InChIKey of 6-[6-[6-[6-carboxy-4-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methoxyphenyl)pyridine-2-carboxylic acid?
The InChIKey is WYPVLHFZHDWBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4O6/c1-45-25-13-9-21(10-14-25)23-17-31(39-33(19-23)35(41)42)29-7-3-5-27(37-29)28-6-4-8-30(38-28)32-18-24(20-34(40-32)36(43)44)22-11-15-26(46-2)16-12-22/h3-20H,1-2H3,(H,41,42)(H,43,44).
What are the key properties of 6-[6-[6-[6-carboxy-4-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methoxyphenyl)pyridine-2-carboxylic acid?
6-[6-[6-[6-carboxy-4-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methoxyphenyl)pyridine-2-carboxylic acid has a molecular weight of 610.63 g/mol, XLogP of 7.02, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[6-[6-carboxy-4-(4-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(4-methoxyphenyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 20811329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).