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

C17H23N3OS — CID 117163970

IUPAC2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCOC1)n2CC1CCCS1
InChIInChI=1S/C17H23N3OS/c1-6-15-17(18-7-1)20(11-14-5-3-9-22-14)16(19-15)10-13-4-2-8-21-12-13/h1,6-7,13-14H,2-5,8-12H2
InChIKeyNVQUPDWEISQQCV-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.30
Rot. Bonds4

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

2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163970) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163970
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCOC1)n2CC1CCCS1
InChIInChI=1S/C17H23N3OS/c1-6-15-17(18-7-1)20(11-14-5-3-9-22-14)16(19-15)10-13-4-2-8-21-12-13/h1,6-7,13-14H,2-5,8-12H2
InChIKeyNVQUPDWEISQQCV-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164016
2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163696
2-(oxan-3-ylmethyl)-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164115
3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162430
N,N-dimethyl-2-[2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117164109
3-(oxolan-2-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163279
3-(oxolan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162242
N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163560
3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164349
3-(oxolan-3-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163882
3-cyclobutyl-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161425
3-(oxan-2-ylmethyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161600

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117163970) is 2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(CC1CCCOC1)n2CC1CCCS1.
What is the InChIKey of 2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is NVQUPDWEISQQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-6-15-17(18-7-1)20(11-14-5-3-9-22-14)16(19-15)10-13-4-2-8-21-12-13/h1,6-7,13-14H,2-5,8-12H2.
What are the key properties of 2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine?
2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 317.46 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).