2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

C12H14BrN3O3S — CID 79306116

IUPAC2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCOCC(C)n1c(SCC(=O)O)nc2cc(Br)cnc21
InChIInChI=1S/C12H14BrN3O3S/c1-7(5-19-2)16-11-9(3-8(13)4-14-11)15-12(16)20-6-10(17)18/h3-4,7H,5-6H2,1-2H3,(H,17,18)
InChIKeyWVPJDLIKWWFXTC-UHFFFAOYSA-N
MW360.23 g/mol
LogP2.58
Rot. Bonds6

About 2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid

2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (PubChem CID 79306116) has the molecular formula C12H14BrN3O3S and a molecular weight of 360.23 g/mol. Its IUPAC name is 2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
PubChem CID79306116
Molecular FormulaC12H14BrN3O3S
Molecular Weight360.23 g/mol
Exact Mass358.99
IUPAC Name2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
SMILESCOCC(C)n1c(SCC(=O)O)nc2cc(Br)cnc21
InChIInChI=1S/C12H14BrN3O3S/c1-7(5-19-2)16-11-9(3-8(13)4-14-11)15-12(16)20-6-10(17)18/h3-4,7H,5-6H2,1-2H3,(H,17,18)
InChIKeyWVPJDLIKWWFXTC-UHFFFAOYSA-N
XLogP2.58
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid with MolForge

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Related Compounds

2-[5-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 43661278
2-[6-bromo-1-(1-methoxypropan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 65347300
2-[6-bromo-3-(2-methoxypropyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 102699336
2-[3-(1-methoxypropan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 81138146
2-[3-(1-methoxybutan-2-yl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79279621
6-bromo-2-(1-chloroethyl)-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridine
CID 79302301
2-[6-bromo-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79279515
2-[6-fluoro-5-iodo-1-(1-methoxypropan-2-yl)benzimidazol-2-yl]sulfanylacetic acid
CID 66099794
2-[6-bromo-3-(1-methylcyclopentyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79279695
2-[6-bromo-3-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79781372
2-[3-(4-methoxybutan-2-yl)-5-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 81141390
2-[6-bromo-3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79278760

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The IUPAC name of 2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid (CID 79306116) is 2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The canonical SMILES for 2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is COCC(C)n1c(SCC(=O)O)nc2cc(Br)cnc21.
What is the InChIKey of 2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
The InChIKey is WVPJDLIKWWFXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3S/c1-7(5-19-2)16-11-9(3-8(13)4-14-11)15-12(16)20-6-10(17)18/h3-4,7H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid?
2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid has a molecular weight of 360.23 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-3-(1-methoxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid is sourced from PubChem (CID 79306116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).