2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine

C24H32N4O2S — CID 46286871

IUPAC2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(n3c(CC(C)C)nc4cccnc43)CC2)c(C)c1
InChIInChI=1S/C24H32N4O2S/c1-16(2)13-22-26-21-7-6-10-25-24(21)28(22)20-8-11-27(12-9-20)31(29,30)23-18(4)14-17(3)15-19(23)5/h6-7,10,14-16,20H,8-9,11-13H2,1-5H3
InChIKeyISZKGFWYKPQKJO-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.58
Rot. Bonds5

About 2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine

2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine (PubChem CID 46286871) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
PubChem CID46286871
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC Name2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(n3c(CC(C)C)nc4cccnc43)CC2)c(C)c1
InChIInChI=1S/C24H32N4O2S/c1-16(2)13-22-26-21-7-6-10-25-24(21)28(22)20-8-11-27(12-9-20)31(29,30)23-18(4)14-17(3)15-19(23)5/h6-7,10,14-16,20H,8-9,11-13H2,1-5H3
InChIKeyISZKGFWYKPQKJO-UHFFFAOYSA-N
XLogP4.58
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 46286878
3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 46286885
3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165622
3-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine
CID 46344280
N-(2,4-dimethylphenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286729
3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
CID 117165589
3-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]-2-ethylimidazo[4,5-b]pyridine
CID 46344283
N-(2,5-dichlorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286756
N-(2,4-difluorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286744
3,5-dimethyl-4-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 95108530
2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286841
N-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]-3-methylbenzenesulfonamide
CID 53022556

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine (CID 46286871) is 2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine is Cc1cc(C)c(S(=O)(=O)N2CCC(n3c(CC(C)C)nc4cccnc43)CC2)c(C)c1.
What is the InChIKey of 2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine?
The InChIKey is ISZKGFWYKPQKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-16(2)13-22-26-21-7-6-10-25-24(21)28(22)20-8-11-27(12-9-20)31(29,30)23-18(4)14-17(3)15-19(23)5/h6-7,10,14-16,20H,8-9,11-13H2,1-5H3.
What are the key properties of 2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine?
2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine has a molecular weight of 440.61 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 46286871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).