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

C25H26N4O4S — CID 46286860

IUPAC3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(n3c(-c4ccccc4)nc4cccnc43)CC2)c1
InChIInChI=1S/C25H26N4O4S/c1-32-20-10-11-22(33-2)23(17-20)34(30,31)28-15-12-19(13-16-28)29-24(18-7-4-3-5-8-18)27-21-9-6-14-26-25(21)29/h3-11,14,17,19H,12-13,15-16H2,1-2H3
InChIKeyIGFMZTPKJSVGOE-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.14
Rot. Bonds6

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

3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine (PubChem CID 46286860) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine
PubChem CID46286860
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC Name3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCC(n3c(-c4ccccc4)nc4cccnc43)CC2)c1
InChIInChI=1S/C25H26N4O4S/c1-32-20-10-11-22(33-2)23(17-20)34(30,31)28-15-12-19(13-16-28)29-24(18-7-4-3-5-8-18)27-21-9-6-14-26-25(21)29/h3-11,14,17,19H,12-13,15-16H2,1-2H3
InChIKeyIGFMZTPKJSVGOE-UHFFFAOYSA-N
XLogP4.14
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 46286885
3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine
CID 86275507
3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine
CID 46344225
3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine
CID 86272641
3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine
CID 46286859
2,5-dimethoxy-N-[2-(2-phenylimidazo[4,5-b]pyridin-3-yl)ethyl]benzenesulfonamide
CID 46286463
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine
CID 46344283
1-(2,5-dimethoxyphenyl)sulfonyl-4-(triazol-1-yl)piperidine
CID 121151428
N-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050875
4-(2,5-dimethoxyphenyl)sulfonyl-7-phenyl-1,4-thiazepane
CID 90629604
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286770
3-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine
CID 46344280

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine (CID 46286860) is 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine is COc1ccc(OC)c(S(=O)(=O)N2CCC(n3c(-c4ccccc4)nc4cccnc43)CC2)c1.
What is the InChIKey of 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine?
The InChIKey is IGFMZTPKJSVGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-32-20-10-11-22(33-2)23(17-20)34(30,31)28-15-12-19(13-16-28)29-24(18-7-4-3-5-8-18)27-21-9-6-14-26-25(21)29/h3-11,14,17,19H,12-13,15-16H2,1-2H3.
What are the key properties of 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine?
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine has a molecular weight of 478.57 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 46286860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).