3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine

C17H24N4S — CID 117163261

IUPAC3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCN1CCCC(n2c(CC3CCCS3)nc3cccnc32)C1
InChIInChI=1S/C17H24N4S/c1-20-9-3-5-13(12-20)21-16(11-14-6-4-10-22-14)19-15-7-2-8-18-17(15)21/h2,7-8,13-14H,3-6,9-12H2,1H3
InChIKeyNGLBOHLDZHUMBW-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.14
Rot. Bonds3

About 3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine

3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163261) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163261
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCN1CCCC(n2c(CC3CCCS3)nc3cccnc32)C1
InChIInChI=1S/C17H24N4S/c1-20-9-3-5-13(12-20)21-16(11-14-6-4-10-22-14)19-15-7-2-8-18-17(15)21/h2,7-8,13-14H,3-6,9-12H2,1H3
InChIKeyNGLBOHLDZHUMBW-UHFFFAOYSA-N
XLogP3.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpiperidin-3-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161161
3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161554
2-(2-methoxyethyl)-3-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117159854
3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163191
3-(oxolan-2-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163279
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163560
3-(1-methylpiperidin-3-yl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166372
3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163688
3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164099
3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine
CID 117164272
3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164104

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117163261) is 3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine is CN1CCCC(n2c(CC3CCCS3)nc3cccnc32)C1.
What is the InChIKey of 3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is NGLBOHLDZHUMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-20-9-3-5-13(12-20)21-16(11-14-6-4-10-22-14)19-15-7-2-8-18-17(15)21/h2,7-8,13-14H,3-6,9-12H2,1H3.
What are the key properties of 3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 316.47 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).