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

C17H23N3OS — CID 117163961

IUPAC3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCSC1)n2C1CCCCO1
InChIInChI=1S/C17H23N3OS/c1-2-9-21-16(7-1)20-15(11-13-5-4-10-22-12-13)19-14-6-3-8-18-17(14)20/h3,6,8,13,16H,1-2,4-5,7,9-12H2
InChIKeyQOKPJYOQQCBLQA-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.82
Rot. Bonds3

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

3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163961) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163961
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCSC1)n2C1CCCCO1
InChIInChI=1S/C17H23N3OS/c1-2-9-21-16(7-1)20-15(11-13-5-4-10-22-12-13)19-14-6-3-8-18-17(14)20/h3,6,8,13,16H,1-2,4-5,7,9-12H2
InChIKeyQOKPJYOQQCBLQA-UHFFFAOYSA-N
XLogP3.82
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164099
3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164104
3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164087
3-(oxolan-3-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163882
3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161893
2-[(1-methylpyrrolidin-3-yl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117161203
3-(oxolan-2-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163279
3-pyrrolidin-2-yl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163944
3-(oxan-2-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163310
2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162932
2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165741
3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162355

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117163961) is 3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(CC1CCCSC1)n2C1CCCCO1.
What is the InChIKey of 3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is QOKPJYOQQCBLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-2-9-21-16(7-1)20-15(11-13-5-4-10-22-12-13)19-14-6-3-8-18-17(14)20/h3,6,8,13,16H,1-2,4-5,7,9-12H2.
What are the key properties of 3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine?
3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 317.46 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).