2-[4-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid

C30H25N5O4 — CID 145055084

IUPAC2-[4-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid
SMILESCC(C)(C)c1ccc(-c2cnc(-c3ccnc(-c4cc(C(=O)O)cc(-c5cc(C(=O)O)ccn5)n4)c3)[nH]2)cc1
InChIInChI=1S/C30H25N5O4/c1-30(2,3)21-6-4-17(5-7-21)26-16-33-27(35-26)18-8-10-31-22(12-18)24-14-20(29(38)39)15-25(34-24)23-13-19(28(36)37)9-11-32-23/h4-16H,1-3H3,(H,33,35)(H,36,37)(H,38,39)
InChIKeyBLFIRYCHDQDHSP-UHFFFAOYSA-N
MW519.56 g/mol
LogP5.96
Rot. Bonds6

About 2-[4-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid

2-[4-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid (PubChem CID 145055084) has the molecular formula C30H25N5O4 and a molecular weight of 519.56 g/mol. Its IUPAC name is 2-[4-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid
PubChem CID145055084
Molecular FormulaC30H25N5O4
Molecular Weight519.56 g/mol
Exact Mass519.19
IUPAC Name2-[4-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid
SMILESCC(C)(C)c1ccc(-c2cnc(-c3ccnc(-c4cc(C(=O)O)cc(-c5cc(C(=O)O)ccn5)n4)c3)[nH]2)cc1
InChIInChI=1S/C30H25N5O4/c1-30(2,3)21-6-4-17(5-7-21)26-16-33-27(35-26)18-8-10-31-22(12-18)24-14-20(29(38)39)15-25(34-24)23-13-19(28(36)37)9-11-32-23/h4-16H,1-3H3,(H,33,35)(H,36,37)(H,38,39)
InChIKeyBLFIRYCHDQDHSP-UHFFFAOYSA-N
XLogP5.96
TPSA141.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.56
LogP ≤ 55.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

3-[4-(4-Methylpiperazin-1-Yl)phenyl]-9h-Pyrrolo[2,3-B:5,4-C']dipyridine-6-Carboxylic Acid
CID 58266559
3-[[[(2S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]benzoic acid
CID 59345567
4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
4-[5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)-1H-imidazol-2-yl]benzoic acid
CID 10619549
4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]benzoic acid
CID 11057468
4-(2-Phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-benzoic acid methyl ester
CID 10665884
2-[4-(2-Ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenyl]-nicotinic acid
CID 44320733
4''-(2-(5-phenyl-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
CID 46882061
3-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)picolinic acid
CID 46885312
6-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)ethyl)phenyl)picolinic acid
CID 46885313
1-(5-Carboxy-1h-benzo[d]-imidazol-2-ylmethyl)pyridinium chloride
CID 50907898
4-(5-Allyl-6-methyl-2-(pyrazin-2-yl)pyrimidin-4-ylamino)benzoic acid
CID 54581119

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid (CID 145055084) is 2-[4-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid is CC(C)(C)c1ccc(-c2cnc(-c3ccnc(-c4cc(C(=O)O)cc(-c5cc(C(=O)O)ccn5)n4)c3)[nH]2)cc1.
What is the InChIKey of 2-[4-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid?
The InChIKey is BLFIRYCHDQDHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N5O4/c1-30(2,3)21-6-4-17(5-7-21)26-16-33-27(35-26)18-8-10-31-22(12-18)24-14-20(29(38)39)15-25(34-24)23-13-19(28(36)37)9-11-32-23/h4-16H,1-3H3,(H,33,35)(H,36,37)(H,38,39).
What are the key properties of 2-[4-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid?
2-[4-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid has a molecular weight of 519.56 g/mol, XLogP of 5.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-tert-butylphenyl)-1H-imidazol-2-yl]-2-pyridinyl]-6-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 145055084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).