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

C19H22N4O4S — CID 46286770

IUPAC3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC(n3cnc4cccnc43)CC2)cc1OC
InChIInChI=1S/C19H22N4O4S/c1-26-17-6-5-15(12-18(17)27-2)28(24,25)22-10-7-14(8-11-22)23-13-21-16-4-3-9-20-19(16)23/h3-6,9,12-14H,7-8,10-11H2,1-2H3
InChIKeyDBVYQULHNIUPCW-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.47
Rot. Bonds5

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

3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine (PubChem CID 46286770) has the molecular formula C19H22N4O4S and a molecular weight of 402.48 g/mol. Its IUPAC name is 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
PubChem CID46286770
Molecular FormulaC19H22N4O4S
Molecular Weight402.48 g/mol
Exact Mass402.14
IUPAC Name3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC(n3cnc4cccnc43)CC2)cc1OC
InChIInChI=1S/C19H22N4O4S/c1-26-17-6-5-15(12-18(17)27-2)28(24,25)22-10-7-14(8-11-22)23-13-21-16-4-3-9-20-19(16)23/h3-6,9,12-14H,7-8,10-11H2,1-2H3
InChIKeyDBVYQULHNIUPCW-UHFFFAOYSA-N
XLogP2.47
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine
CID 46344283
3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286773
1-(3,4-dimethoxyphenyl)sulfonyl-4-(triazol-2-yl)piperidine
CID 121165181
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979838
3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine
CID 86272641
3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine
CID 86275507
1-(3,4-dimethoxyphenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585253
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazolidine-2,4-dione
CID 121160541
2-[1-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617993
2-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1,3-thiazole
CID 110289836
3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine
CID 46344225
3-[2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-2-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 20955854

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine (CID 46286770) is 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine is COc1ccc(S(=O)(=O)N2CCC(n3cnc4cccnc43)CC2)cc1OC.
What is the InChIKey of 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine?
The InChIKey is DBVYQULHNIUPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S/c1-26-17-6-5-15(12-18(17)27-2)28(24,25)22-10-7-14(8-11-22)23-13-21-16-4-3-9-20-19(16)23/h3-6,9,12-14H,7-8,10-11H2,1-2H3.
What are the key properties of 3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine?
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine has a molecular weight of 402.48 g/mol, XLogP of 2.47, 5 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]imidazo[4,5-b]pyridine is sourced from PubChem (CID 46286770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).