3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine

C25H25ClN4O4S — CID 86272641

IUPAC3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC(n3c(-c4ccccc4OC)nc4cccnc43)CC2)cc1Cl
InChIInChI=1S/C25H25ClN4O4S/c1-33-22-8-4-3-6-19(22)24-28-21-7-5-13-27-25(21)30(24)17-11-14-29(15-12-17)35(31,32)18-9-10-23(34-2)20(26)16-18/h3-10,13,16-17H,11-12,14-15H2,1-2H3
InChIKeyNKJBVIPWGMYHNV-UHFFFAOYSA-N
MW513.02 g/mol
LogP4.79
Rot. Bonds6

About 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine

3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine (PubChem CID 86272641) has the molecular formula C25H25ClN4O4S and a molecular weight of 513.02 g/mol. Its IUPAC name is 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine
PubChem CID86272641
Molecular FormulaC25H25ClN4O4S
Molecular Weight513.02 g/mol
Exact Mass512.13
IUPAC Name3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCC(n3c(-c4ccccc4OC)nc4cccnc43)CC2)cc1Cl
InChIInChI=1S/C25H25ClN4O4S/c1-33-22-8-4-3-6-19(22)24-28-21-7-5-13-27-25(21)30(24)17-11-14-29(15-12-17)35(31,32)18-9-10-23(34-2)20(26)16-18/h3-10,13,16-17H,11-12,14-15H2,1-2H3
InChIKeyNKJBVIPWGMYHNV-UHFFFAOYSA-N
XLogP4.79
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.02
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-pyridin-4-ylimidazo[4,5-b]pyridine
CID 86275507
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine
CID 46344283
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-phenylimidazo[4,5-b]pyridine
CID 46286860
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-chlorophenyl)imidazo[4,5-b]pyridine;methyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]borinic acid;3-nitro-N-piperidin-4-ylpyridin-2-amine;2,2,2-trifluoroacetaldehyde
CID 159052148
methyl 2-[3-[1-(3-chloro-4-methoxyphenyl)sulfinylpiperidin-4-yl]imidazo[4,5-b]pyridin-2-yl]benzoate
CID 144728710
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286770
2-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286792
2-(2-chloro-3-pyridinyl)-3-[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidin-4-yl]-5-methylimidazo[4,5-b]pyridine
CID 144728788
2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286841
3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 46286878
3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 53130859

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine (CID 86272641) is 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine is COc1ccc(S(=O)(=O)N2CCC(n3c(-c4ccccc4OC)nc4cccnc43)CC2)cc1Cl.
What is the InChIKey of 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine?
The InChIKey is NKJBVIPWGMYHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O4S/c1-33-22-8-4-3-6-19(22)24-28-21-7-5-13-27-25(21)30(24)17-11-14-29(15-12-17)35(31,32)18-9-10-23(34-2)20(26)16-18/h3-10,13,16-17H,11-12,14-15H2,1-2H3.
What are the key properties of 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine?
3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine has a molecular weight of 513.02 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methoxyphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 86272641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).