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

C17H24N4S — CID 117162220

IUPAC3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCC(n2c(C3CCCS3)nc3cccnc32)CC1
InChIInChI=1S/C17H24N4S/c1-2-20-10-7-13(8-11-20)21-16-14(5-3-9-18-16)19-17(21)15-6-4-12-22-15/h3,5,9,13,15H,2,4,6-8,10-12H2,1H3
InChIKeyLFDZCBGXPIGPRN-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.66
Rot. Bonds3

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

3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162220) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162220
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCC(n2c(C3CCCS3)nc3cccnc32)CC1
InChIInChI=1S/C17H24N4S/c1-2-20-10-7-13(8-11-20)21-16-14(5-3-9-18-16)19-17(21)15-6-4-12-22-15/h3,5,9,13,15H,2,4,6-8,10-12H2,1H3
InChIKeyLFDZCBGXPIGPRN-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160696
3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162552
3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162583
3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162355
2-(1-ethylpiperidin-3-yl)-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117161788
3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161767
2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117162166
2-(1-ethylpiperidin-4-yl)-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117160918
3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164679
3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162433
3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162624
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162907

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (CID 117162220) is 3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is CCN1CCC(n2c(C3CCCS3)nc3cccnc32)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is LFDZCBGXPIGPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-2-20-10-7-13(8-11-20)21-16-14(5-3-9-18-16)19-17(21)15-6-4-12-22-15/h3,5,9,13,15H,2,4,6-8,10-12H2,1H3.
What are the key properties of 3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 316.47 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).