3-(2,4-dimethoxy-3-pyridinyl)-2-(6-ethoxy-2-pyridinyl)-5-(methylsulfonylmethyl)imidazo[4,5-b]pyrazine

C21H22N6O5S — CID 165002009

IUPAC3-(2,4-dimethoxy-3-pyridinyl)-2-(6-ethoxy-2-pyridinyl)-5-(methylsulfonylmethyl)imidazo[4,5-b]pyrazine
SMILESCCOc1cccc(-c2nc3ncc(CS(C)(=O)=O)nc3n2-c2c(OC)ccnc2OC)n1
InChIInChI=1S/C21H22N6O5S/c1-5-32-16-8-6-7-14(25-16)19-26-18-20(24-13(11-23-18)12-33(4,28)29)27(19)17-15(30-2)9-10-22-21(17)31-3/h6-11H,5,12H2,1-4H3
InChIKeyIJWXTIDQGAQTCR-UHFFFAOYSA-N
MW470.51 g/mol
LogP2.23
Rot. Bonds8

About 3-(2,4-dimethoxy-3-pyridinyl)-2-(6-ethoxy-2-pyridinyl)-5-(methylsulfonylmethyl)imidazo[4,5-b]pyrazine

3-(2,4-dimethoxy-3-pyridinyl)-2-(6-ethoxy-2-pyridinyl)-5-(methylsulfonylmethyl)imidazo[4,5-b]pyrazine (PubChem CID 165002009) has the molecular formula C21H22N6O5S and a molecular weight of 470.51 g/mol. Its IUPAC name is 3-(2,4-dimethoxy-3-pyridinyl)-2-(6-ethoxy-2-pyridinyl)-5-(methylsulfonylmethyl)imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name3-(2,4-dimethoxy-3-pyridinyl)-2-(6-ethoxy-2-pyridinyl)-5-(methylsulfonylmethyl)imidazo[4,5-b]pyrazine
PubChem CID165002009
Molecular FormulaC21H22N6O5S
Molecular Weight470.51 g/mol
Exact Mass470.14
IUPAC Name3-(2,4-dimethoxy-3-pyridinyl)-2-(6-ethoxy-2-pyridinyl)-5-(methylsulfonylmethyl)imidazo[4,5-b]pyrazine
SMILESCCOc1cccc(-c2nc3ncc(CS(C)(=O)=O)nc3n2-c2c(OC)ccnc2OC)n1
InChIInChI=1S/C21H22N6O5S/c1-5-32-16-8-6-7-14(25-16)19-26-18-20(24-13(11-23-18)12-33(4,28)29)27(19)17-15(30-2)9-10-22-21(17)31-3/h6-11H,5,12H2,1-4H3
InChIKeyIJWXTIDQGAQTCR-UHFFFAOYSA-N
XLogP2.23
TPSA131.21 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.51
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-[(5-fluoropyrimidin-2-yl)methylsulfonylmethyl]imidazo[4,5-b]pyrazine
CID 165098917
1-cyclopropyl-N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methanesulfonamide
CID 146509396
1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-amine
CID 146463242
[5-chloro-3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-6-yl]methanesulfonamide
CID 175806574
3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-N-pyrimidin-2-ylsulfanylimidazo[4,5-b]pyrazin-5-amine
CID 146509286
benzyl 4-[[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]methylsulfonylmethyl]piperidine-1-carboxylate
CID 165098821
N-[1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-5-fluoroimidazo[4,5-b]pyrazin-6-yl]methanesulfonamide
CID 146463237
3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-N-[(5-fluoro-2-pyridinyl)methylsulfanyl]imidazo[4,5-b]pyrazin-5-amine
CID 146509501
N-[3-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)imidazo[4,5-b]pyrazin-5-yl]-4-hydroxypyridin-1-ium-1-sulfonamide
CID 166002238
5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-6-[(4-fluorophenyl)methylsulfonylmethyl]imidazo[4,5-b]pyrazine
CID 164968634
5-chloro-1-(2,6-dimethoxyphenyl)-2-(6-ethoxy-2-pyridinyl)-6-[(3-fluorophenyl)methylsulfonylmethyl]imidazo[4,5-b]pyrazine
CID 165104258
3-(cyclopropylsulfonylmethyl)-5-(2,6-dimethoxyphenyl)-6-(6-ethoxy-2-pyridinyl)imidazo[4,5-c]pyridazine
CID 165060125

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxy-3-pyridinyl)-2-(6-ethoxy-2-pyridinyl)-5-(methylsulfonylmethyl)imidazo[4,5-b]pyrazine?
The IUPAC name of 3-(2,4-dimethoxy-3-pyridinyl)-2-(6-ethoxy-2-pyridinyl)-5-(methylsulfonylmethyl)imidazo[4,5-b]pyrazine (CID 165002009) is 3-(2,4-dimethoxy-3-pyridinyl)-2-(6-ethoxy-2-pyridinyl)-5-(methylsulfonylmethyl)imidazo[4,5-b]pyrazine.
What is the SMILES notation for 3-(2,4-dimethoxy-3-pyridinyl)-2-(6-ethoxy-2-pyridinyl)-5-(methylsulfonylmethyl)imidazo[4,5-b]pyrazine?
The canonical SMILES for 3-(2,4-dimethoxy-3-pyridinyl)-2-(6-ethoxy-2-pyridinyl)-5-(methylsulfonylmethyl)imidazo[4,5-b]pyrazine is CCOc1cccc(-c2nc3ncc(CS(C)(=O)=O)nc3n2-c2c(OC)ccnc2OC)n1.
What is the InChIKey of 3-(2,4-dimethoxy-3-pyridinyl)-2-(6-ethoxy-2-pyridinyl)-5-(methylsulfonylmethyl)imidazo[4,5-b]pyrazine?
The InChIKey is IJWXTIDQGAQTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O5S/c1-5-32-16-8-6-7-14(25-16)19-26-18-20(24-13(11-23-18)12-33(4,28)29)27(19)17-15(30-2)9-10-22-21(17)31-3/h6-11H,5,12H2,1-4H3.
What are the key properties of 3-(2,4-dimethoxy-3-pyridinyl)-2-(6-ethoxy-2-pyridinyl)-5-(methylsulfonylmethyl)imidazo[4,5-b]pyrazine?
3-(2,4-dimethoxy-3-pyridinyl)-2-(6-ethoxy-2-pyridinyl)-5-(methylsulfonylmethyl)imidazo[4,5-b]pyrazine has a molecular weight of 470.51 g/mol, XLogP of 2.23, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxy-3-pyridinyl)-2-(6-ethoxy-2-pyridinyl)-5-(methylsulfonylmethyl)imidazo[4,5-b]pyrazine is sourced from PubChem (CID 165002009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).