2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine

C17H23N3OS — CID 117163696

IUPAC2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCCO1)n2CC1CCCS1
InChIInChI=1S/C17H23N3OS/c1-2-9-21-13(5-1)11-16-19-15-7-3-8-18-17(15)20(16)12-14-6-4-10-22-14/h3,7-8,13-14H,1-2,4-6,9-12H2
InChIKeyCQCFSTOMEMQHPR-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.44
Rot. Bonds4

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

2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163696) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163696
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCCO1)n2CC1CCCS1
InChIInChI=1S/C17H23N3OS/c1-2-9-21-13(5-1)11-16-19-15-7-3-8-18-17(15)20(16)12-14-6-4-10-22-14/h3,7-8,13-14H,1-2,4-6,9-12H2
InChIKeyCQCFSTOMEMQHPR-UHFFFAOYSA-N
XLogP3.44
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163742
2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163970
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163638
2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163159
3-(oxan-2-ylmethyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161600
2-(oxolan-2-ylmethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117163243
3-(oxolan-2-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163279
N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163560
2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine
CID 117163778
3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163565
2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117165795
3-(oxolan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161594

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117163696) is 2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(CC1CCCCO1)n2CC1CCCS1.
What is the InChIKey of 2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is CQCFSTOMEMQHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-2-9-21-13(5-1)11-16-19-15-7-3-8-18-17(15)20(16)12-14-6-4-10-22-14/h3,7-8,13-14H,1-2,4-6,9-12H2.
What are the key properties of 2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 317.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).