1-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone

C17H17N3O3S — CID 652878

IUPAC1-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
SMILESCOc1ccc(OC)c(C(=O)CSc2nc3cccnc3n2C)c1
InChIInChI=1S/C17H17N3O3S/c1-20-16-13(5-4-8-18-16)19-17(20)24-10-14(21)12-9-11(22-2)6-7-15(12)23-3/h4-9H,10H2,1-3H3
InChIKeyHXWLHQXKIHSTEI-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.96
Rot. Bonds6

About 1-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone

1-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone (PubChem CID 652878) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
PubChem CID652878
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
SMILESCOc1ccc(OC)c(C(=O)CSc2nc3cccnc3n2C)c1
InChIInChI=1S/C17H17N3O3S/c1-20-16-13(5-4-8-18-16)19-17(20)24-10-14(21)12-9-11(22-2)6-7-15(12)23-3/h4-9H,10H2,1-3H3
InChIKeyHXWLHQXKIHSTEI-UHFFFAOYSA-N
XLogP2.96
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone
CID 665931
1-(3,4-dimethoxyphenyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)ethanone
CID 3999131
N-tert-Butyl-2-{2-[2-(2,5-dimethoxy-phenyl)-2-oxo-ethylsulfanyl]-benzoimidazol-1-yl}-acetamide
CID 3224633
N,N-Diisopropyl-2-{2-[2-(3-methoxy-phenyl)-2-oxo-ethylsulfanyl]-benzoimidazol-1-yl}-acetamide
CID 3224807
(2-Hydroxy-5-methoxyphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
CID 4038504
4-{[2-(Benzylsulfanyl)-3H-imidazo[4,5-B]pyridin-3-YL]methyl}-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 16011470
4-{[2-(Benzylsulfanyl)-3H-imidazo[4,5-B]pyridin-3-YL]methyl}-N-[(2-methoxyphenyl)methyl]benzamide
CID 16021141
2-methoxy-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 916291
1-(2,5-dimethoxyphenyl)-2-{[4-methyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}ethanone
CID 2218918
2-(Imidazo[1,2-a]pyridin-8-ylmethoxy)-5-methoxybenzaldehyde
CID 71621460
[4-(8-Amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-2-methoxyphenyl]-phenylmethanone
CID 44539388
1-(2,5-dimethoxyphenyl)-2-{[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}ethanone
CID 1264529

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone (CID 652878) is 1-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone is COc1ccc(OC)c(C(=O)CSc2nc3cccnc3n2C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
The InChIKey is HXWLHQXKIHSTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-20-16-13(5-4-8-18-16)19-17(20)24-10-14(21)12-9-11(22-2)6-7-15(12)23-3/h4-9H,10H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
1-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone has a molecular weight of 343.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone is sourced from PubChem (CID 652878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).