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

C15H21N3O2S — CID 117160904

IUPAC4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide
SMILESCC(C)Cn1c(C2CCS(=O)(=O)CC2)nc2cccnc21
InChIInChI=1S/C15H21N3O2S/c1-11(2)10-18-14(12-5-8-21(19,20)9-6-12)17-13-4-3-7-16-15(13)18/h3-4,7,11-12H,5-6,8-10H2,1-2H3
InChIKeyBAONLNGTXWXAHX-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.38
Rot. Bonds3

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

4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide (PubChem CID 117160904) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide
PubChem CID117160904
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide
SMILESCC(C)Cn1c(C2CCS(=O)(=O)CC2)nc2cccnc21
InChIInChI=1S/C15H21N3O2S/c1-11(2)10-18-14(12-5-8-21(19,20)9-6-12)17-13-4-3-7-16-15(13)18/h3-4,7,11-12H,5-6,8-10H2,1-2H3
InChIKeyBAONLNGTXWXAHX-UHFFFAOYSA-N
XLogP2.38
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

2-(1-ethylpiperidin-4-yl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117160918
4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117165614
4-[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]thiane 1,1-dioxide
CID 79294292
3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
CID 117165589
3-(2-methylpropyl)imidazo[4,5-b]pyridine-2-carboxylic acid
CID 84684642
2-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117164029
1-[(3R)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 95110122
4-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117161703
1-[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 95110139
N-(2-methylpropyl)-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 83272706
N,N-dimethyl-2-[2-(1-propan-2-ylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117160610
3-(2-methylpropyl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164742

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide?
The IUPAC name of 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide (CID 117160904) is 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide?
The canonical SMILES for 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide is CC(C)Cn1c(C2CCS(=O)(=O)CC2)nc2cccnc21.
What is the InChIKey of 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide?
The InChIKey is BAONLNGTXWXAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11(2)10-18-14(12-5-8-21(19,20)9-6-12)17-13-4-3-7-16-15(13)18/h3-4,7,11-12H,5-6,8-10H2,1-2H3.
What are the key properties of 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide?
4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide has a molecular weight of 307.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]thiane 1,1-dioxide is sourced from PubChem (CID 117160904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).