2-[4-[(2-butyl-5-carboxy-4-methylsulfinylimidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid

C24H24N4O5S — CID 19752341

IUPAC2-[4-[(2-butyl-5-carboxy-4-methylsulfinylimidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCCCc1nc(S(C)=O)c(C(=O)O)n1Cc1ccc(-c2nc3ccccn3c2C(=O)O)cc1
InChIInChI=1S/C24H24N4O5S/c1-3-4-7-18-26-22(34(2)33)21(24(31)32)28(18)14-15-9-11-16(12-10-15)19-20(23(29)30)27-13-6-5-8-17(27)25-19/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyIXMHZGRWPSFORA-UHFFFAOYSA-N
MW480.55 g/mol
LogP3.72
Rot. Bonds9

About 2-[4-[(2-butyl-5-carboxy-4-methylsulfinylimidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid

2-[4-[(2-butyl-5-carboxy-4-methylsulfinylimidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 19752341) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is 2-[4-[(2-butyl-5-carboxy-4-methylsulfinylimidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(2-butyl-5-carboxy-4-methylsulfinylimidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID19752341
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC Name2-[4-[(2-butyl-5-carboxy-4-methylsulfinylimidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCCCCc1nc(S(C)=O)c(C(=O)O)n1Cc1ccc(-c2nc3ccccn3c2C(=O)O)cc1
InChIInChI=1S/C24H24N4O5S/c1-3-4-7-18-26-22(34(2)33)21(24(31)32)28(18)14-15-9-11-16(12-10-15)19-20(23(29)30)27-13-6-5-8-17(27)25-19/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyIXMHZGRWPSFORA-UHFFFAOYSA-N
XLogP3.72
TPSA126.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 14989466
2-butyl-5-methylsulfinyl-3-[[4-[2-(propylcarbamoylsulfamoyl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 10325487
5-(benzenesulfinyl)-2-butyl-3-[(3-carboxy-4-phenylphenyl)methyl]imidazole-4-carboxylic acid
CID 23352165
2-butyl-5-chloro-3-[[4-[2-(2-hydroxy-3,4-dioxocyclobuten-1-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 19955588
5-benzylsulfanyl-2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]imidazole-4-carboxylic acid
CID 21479010
[2-[4-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]phenyl]imidazo[1,2-a]pyridin-3-yl] hydrogen carbonate
CID 67906988
potassium 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 19742967
3-[[4-[2-[(Z)-C-aminocarbonohydrazonoyl]phenyl]phenyl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid
CID 143701483
potassium;2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid;hydride
CID 173358745
3-[(4-boronophenyl)methyl]-2-butyl-5-methylsulfanylimidazole-4-carboxylic acid
CID 18987819
2-[4-[[2-butyl-5-carbamoyl-4-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]benzoic acid
CID 19963336
4-butyl-N-[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42693948

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-butyl-5-carboxy-4-methylsulfinylimidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-[(2-butyl-5-carboxy-4-methylsulfinylimidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 19752341) is 2-[4-[(2-butyl-5-carboxy-4-methylsulfinylimidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-[(2-butyl-5-carboxy-4-methylsulfinylimidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-[(2-butyl-5-carboxy-4-methylsulfinylimidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid is CCCCc1nc(S(C)=O)c(C(=O)O)n1Cc1ccc(-c2nc3ccccn3c2C(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-butyl-5-carboxy-4-methylsulfinylimidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is IXMHZGRWPSFORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-3-4-7-18-26-22(34(2)33)21(24(31)32)28(18)14-15-9-11-16(12-10-15)19-20(23(29)30)27-13-6-5-8-17(27)25-19/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,29,30)(H,31,32).
What are the key properties of 2-[4-[(2-butyl-5-carboxy-4-methylsulfinylimidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[4-[(2-butyl-5-carboxy-4-methylsulfinylimidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 480.55 g/mol, XLogP of 3.72, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-butyl-5-carboxy-4-methylsulfinylimidazol-1-yl)methyl]phenyl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 19752341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).