3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide

C14H19N3O2S — CID 117165589

IUPAC3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
SMILESCC(C)Cc1nc2cccnc2n1C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19N3O2S/c1-10(2)8-13-16-12-4-3-6-15-14(12)17(13)11-5-7-20(18,19)9-11/h3-4,6,10-11H,5,7-9H2,1-2H3
InChIKeyIOMMPIDJUGFNEG-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.99
Rot. Bonds3

About 3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide

3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide (PubChem CID 117165589) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
PubChem CID117165589
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
SMILESCC(C)Cc1nc2cccnc2n1C1CCS(=O)(=O)C1
InChIInChI=1S/C14H19N3O2S/c1-10(2)8-13-16-12-4-3-6-15-14(12)17(13)11-5-7-20(18,19)9-11/h3-4,6,10-11H,5,7-9H2,1-2H3
InChIKeyIOMMPIDJUGFNEG-UHFFFAOYSA-N
XLogP1.99
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165622
3-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294395
4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117165614
4-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117161703
2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165741
4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294292
3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 46286878
4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide
CID 117160904
2-(2-methylpropyl)-3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286871
N-(2,5-dichlorophenyl)-4-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286756
(1R)-1-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-3-methylbutan-1-amine
CID 97055961
2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117165662

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide (CID 117165589) is 3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide is CC(C)Cc1nc2cccnc2n1C1CCS(=O)(=O)C1.
What is the InChIKey of 3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide?
The InChIKey is IOMMPIDJUGFNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10(2)8-13-16-12-4-3-6-15-14(12)17(13)11-5-7-20(18,19)9-11/h3-4,6,10-11H,5,7-9H2,1-2H3.
What are the key properties of 3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide?
3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide has a molecular weight of 293.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 117165589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).