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

C20H24N4O3S — CID 91913762

IUPAC3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(Cn3c(C)nc4cccnc43)C2)cc1
InChIInChI=1S/C20H24N4O3S/c1-15-22-19-6-3-11-21-20(19)24(15)14-16-5-4-12-23(13-16)28(25,26)18-9-7-17(27-2)8-10-18/h3,6-11,16H,4-5,12-14H2,1-2H3
InChIKeyKJNDXCJISAZBEH-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.85
Rot. Bonds5

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

3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine (PubChem CID 91913762) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
PubChem CID91913762
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(Cn3c(C)nc4cccnc43)C2)cc1
InChIInChI=1S/C20H24N4O3S/c1-15-22-19-6-3-11-21-20(19)24(15)14-16-5-4-12-23(13-16)28(25,26)18-9-7-17(27-2)8-10-18/h3,6-11,16H,4-5,12-14H2,1-2H3
InChIKeyKJNDXCJISAZBEH-UHFFFAOYSA-N
XLogP2.85
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-(benzenesulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904206
3-[[1-(3,5-difluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904216
3-[[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91904230
3-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913825
3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 97429271
[1-(4-methoxyphenyl)cyclohexyl]-[3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidin-1-yl]methanone
CID 91904137
3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methylimidazo[4,5-b]pyridine
CID 46344225
3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine
CID 91913824
3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
2-[(3R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]-3-methylimidazo[4,5-b]pyridine
CID 95110337
N-(3-methoxyphenyl)-3-[(2-methylimidazo[4,5-b]pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 91904220
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
CID 55210776

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine (CID 91913762) is 3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine is COc1ccc(S(=O)(=O)N2CCCC(Cn3c(C)nc4cccnc43)C2)cc1.
What is the InChIKey of 3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
The InChIKey is KJNDXCJISAZBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-15-22-19-6-3-11-21-20(19)24(15)14-16-5-4-12-23(13-16)28(25,26)18-9-7-17(27-2)8-10-18/h3,6-11,16H,4-5,12-14H2,1-2H3.
What are the key properties of 3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine?
3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine has a molecular weight of 400.50 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methyl]-2-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 91913762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).