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

C14H19N3O3S — CID 81141390

IUPAC2-[3-(4-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCOCCC(C)n1c(SCC(=O)O)nc2ccc(C)nc21
InChIInChI=1S/C14H19N3O3S/c1-9-4-5-11-13(15-9)17(10(2)6-7-20-3)14(16-11)21-8-12(18)19/h4-5,10H,6-8H2,1-3H3,(H,18,19)
InChIKeyHPDFNRGHKYPQDB-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.51
Rot. Bonds7

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

2-[3-(4-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (PubChem CID 81141390) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[3-(4-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[3-(4-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
PubChem CID81141390
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name2-[3-(4-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCOCCC(C)n1c(SCC(=O)O)nc2ccc(C)nc21
InChIInChI=1S/C14H19N3O3S/c1-9-4-5-11-13(15-9)17(10(2)6-7-20-3)14(16-11)21-8-12(18)19/h4-5,10H,6-8H2,1-3H3,(H,18,19)
InChIKeyHPDFNRGHKYPQDB-UHFFFAOYSA-N
XLogP2.51
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(4-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid with MolForge

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Related Compounds

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-[7-chloro-1-(4-methoxybutan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 64604078
2-[1-(4-methoxybutan-2-yl)-4-oxopyrimidin-2-yl]sulfanylacetic acid
CID 64604729
2-[6-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 65347300
2-(5-methyl-3-prop-2-enylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
CID 81138149
2-[[4-(4-methoxybutan-2-yl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 64605295
2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79306116
2-[5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 43661278
2-[3-[3-(dimethylamino)propyl]-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 81141711
2-(chloromethyl)-3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridine
CID 81136366
2-[3-(furan-2-ylmethyl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 81141213

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[3-(4-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (CID 81141390) is 2-[3-(4-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[3-(4-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[3-(4-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is COCCC(C)n1c(SCC(=O)O)nc2ccc(C)nc21.
What is the InChIKey of 2-[3-(4-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is HPDFNRGHKYPQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9-4-5-11-13(15-9)17(10(2)6-7-20-3)14(16-11)21-8-12(18)19/h4-5,10H,6-8H2,1-3H3,(H,18,19).
What are the key properties of 2-[3-(4-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
2-[3-(4-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 309.39 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 81141390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).