2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid

C18H19N3O2S — CID 134241824

IUPAC2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid
SMILESCc1cc(C)c(-n2c(SC(C)C(=O)O)nc3cccnc32)c(C)c1
InChIInChI=1S/C18H19N3O2S/c1-10-8-11(2)15(12(3)9-10)21-16-14(6-5-7-19-16)20-18(21)24-13(4)17(22)23/h5-9,13H,1-4H3,(H,22,23)
InChIKeyMCBVIOKOCPTPKA-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.91
Rot. Bonds4

About 2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid

2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid (PubChem CID 134241824) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid.

Molecular Properties

Compound Name2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid
PubChem CID134241824
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid
SMILESCc1cc(C)c(-n2c(SC(C)C(=O)O)nc3cccnc32)c(C)c1
InChIInChI=1S/C18H19N3O2S/c1-10-8-11(2)15(12(3)9-10)21-16-14(6-5-7-19-16)20-18(21)24-13(4)17(22)23/h5-9,13H,1-4H3,(H,22,23)
InChIKeyMCBVIOKOCPTPKA-UHFFFAOYSA-N
XLogP3.91
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid with MolForge

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Related Compounds

3-[(1-Benzyl-1H-benzimidazol-2-yl)thio]-propanoic acid
CID 776881
N-(2-Ethylphenyl)-2-(3h-Imidazo[4,5-B]pyridin-2-Ylsulfanyl)acetamide
CID 1264291
URAT1 inhibitor 2
CID 163322044
[4-(2-ethyl-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid
CID 20887718
{[(3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl)methyl]thio}acetic acid
CID 20955361
1-(2,3-dimethyl-1H-indol-1-yl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]ethanone
CID 660951
9-(((1-methyl-1H-imidazol-2-yl)sulfanyl)acetyl)-2,3,4,9-tetrahydro-1H-carbazole
CID 750439
N-(4-butylphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 4527087
Methyl 3-({2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-6-yl}sulfanyl)propanoate
CID 24754918
Acetic acid, 2-((4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl)thio)-
CID 2736949
2-[(2-Fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine
CID 649231
(3-Cyclohexyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetic acid isopropyl ester
CID 656322

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid?
The IUPAC name of 2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid (CID 134241824) is 2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid.
What is the SMILES notation for 2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid?
The canonical SMILES for 2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid is Cc1cc(C)c(-n2c(SC(C)C(=O)O)nc3cccnc32)c(C)c1.
What is the InChIKey of 2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid?
The InChIKey is MCBVIOKOCPTPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-10-8-11(2)15(12(3)9-10)21-16-14(6-5-7-19-16)20-18(21)24-13(4)17(22)23/h5-9,13H,1-4H3,(H,22,23).
What are the key properties of 2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid?
2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid has a molecular weight of 341.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylpropanoic acid is sourced from PubChem (CID 134241824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).