3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine

C21H26N4O4S — CID 46344283

IUPAC3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine
SMILESCCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C21H26N4O4S/c1-4-20-23-17-6-5-11-22-21(17)25(20)15-9-12-24(13-10-15)30(26,27)16-7-8-18(28-2)19(14-16)29-3/h5-8,11,14-15H,4,9-10,12-13H2,1-3H3
InChIKeyLUBDCSUBDUDTBE-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.04
Rot. Bonds6

About 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine

3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine (PubChem CID 46344283) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine
PubChem CID46344283
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine
SMILESCCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C21H26N4O4S/c1-4-20-23-17-6-5-11-22-21(17)25(20)15-9-12-24(13-10-15)30(26,27)16-7-8-18(28-2)19(14-16)29-3/h5-8,11,14-15H,4,9-10,12-13H2,1-3H3
InChIKeyLUBDCSUBDUDTBE-UHFFFAOYSA-N
XLogP3.04
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286770
2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286841
3-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine
CID 46344280
3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine
CID 86275507
3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine
CID 86272641
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 46286885
3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine
CID 46344225
3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 46286878
2-ethyl-3-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97416498
1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine
CID 121165181
2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286792
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine
CID 46286860

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine (CID 46344283) is 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine is CCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine?
The InChIKey is LUBDCSUBDUDTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-4-20-23-17-6-5-11-22-21(17)25(20)15-9-12-24(13-10-15)30(26,27)16-7-8-18(28-2)19(14-16)29-3/h5-8,11,14-15H,4,9-10,12-13H2,1-3H3.
What are the key properties of 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine?
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine has a molecular weight of 430.53 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 46344283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).