2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid

C10H11N3O3S — CID 115322042

IUPAC2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
SMILESCOc1ccc2nc(SCC(=O)O)n(C)c2n1
InChIInChI=1S/C10H11N3O3S/c1-13-9-6(3-4-7(12-9)16-2)11-10(13)17-5-8(14)15/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyMNCFEQAVSIOANF-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.15
Rot. Bonds4

About 2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid

2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid (PubChem CID 115322042) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
PubChem CID115322042
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
SMILESCOc1ccc2nc(SCC(=O)O)n(C)c2n1
InChIInChI=1S/C10H11N3O3S/c1-13-9-6(3-4-7(12-9)16-2)11-10(13)17-5-8(14)15/h3-4H,5H2,1-2H3,(H,14,15)
InChIKeyMNCFEQAVSIOANF-UHFFFAOYSA-N
XLogP1.15
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyclopentyl-5-methoxyimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
CID 115322054
2-[5-methoxy-3-(2-methylbutan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 115322061
2-(5-fluoro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 43661245
2-(6-chloro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470221
2-(6-methoxypyridazin-3-yl)sulfanylacetic acid
CID 6418483
2-[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 84617334
2-[3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 81138146
2-[3-(1-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 81141388
2-[3-(4-methoxybutyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79289245
2-(3,5,6-trimethyl-4-oxopyrrolo[3,2-d]pyrimidin-2-yl)sulfanylacetic acid
CID 83814197
2-[3-(furan-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 81141213
2-[3-(4-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 81141390

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid (CID 115322042) is 2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid is COc1ccc2nc(SCC(=O)O)n(C)c2n1.
What is the InChIKey of 2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid?
The InChIKey is MNCFEQAVSIOANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-13-9-6(3-4-7(12-9)16-2)11-10(13)17-5-8(14)15/h3-4H,5H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid?
2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid has a molecular weight of 253.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 115322042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).