1-(2,5-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone

C16H15N3O3S — CID 665931

IUPAC1-(2,5-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone
SMILESCOc1ccc(OC)c(C(=O)CSc2nc3ncccc3[nH]2)c1
InChIInChI=1S/C16H15N3O3S/c1-21-10-5-6-14(22-2)11(8-10)13(20)9-23-16-18-12-4-3-7-17-15(12)19-16/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyVCADMSODVCOQGC-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.95
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone

1-(2,5-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone (PubChem CID 665931) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone
PubChem CID665931
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone
SMILESCOc1ccc(OC)c(C(=O)CSc2nc3ncccc3[nH]2)c1
InChIInChI=1S/C16H15N3O3S/c1-21-10-5-6-14(22-2)11(8-10)13(20)9-23-16-18-12-4-3-7-17-15(12)19-16/h3-8H,9H2,1-2H3,(H,17,18,19)
InChIKeyVCADMSODVCOQGC-UHFFFAOYSA-N
XLogP2.95
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone (CID 665931) is 1-(2,5-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone is COc1ccc(OC)c(C(=O)CSc2nc3ncccc3[nH]2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone?
The InChIKey is VCADMSODVCOQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-21-10-5-6-14(22-2)11(8-10)13(20)9-23-16-18-12-4-3-7-17-15(12)19-16/h3-8H,9H2,1-2H3,(H,17,18,19).
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone?
1-(2,5-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone has a molecular weight of 329.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone is sourced from PubChem (CID 665931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).