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

C15H19N3OS — CID 117162755

IUPAC2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCCO1)n2C1CCSC1
InChIInChI=1S/C15H19N3OS/c1-2-8-19-13(5-1)15-17-12-4-3-7-16-14(12)18(15)11-6-9-20-10-11/h3-4,7,11,13H,1-2,5-6,8-10H2
InChIKeyZJUJYQNNTOGDHP-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.35
Rot. Bonds2

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

2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117162755) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
PubChem CID117162755
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCCO1)n2C1CCSC1
InChIInChI=1S/C15H19N3OS/c1-2-8-19-13(5-1)15-17-12-4-3-7-16-14(12)18(15)11-6-9-20-10-11/h3-4,7,11,13H,1-2,5-6,8-10H2
InChIKeyZJUJYQNNTOGDHP-UHFFFAOYSA-N
XLogP3.35
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162932
3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161893
3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162835
3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160304
3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 45237210
3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162855
3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162355
3-(furan-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162943
4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117162997
2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161851
3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163961
3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 45217578

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine (CID 117162755) is 2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(C1CCCCO1)n2C1CCSC1.
What is the InChIKey of 2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is ZJUJYQNNTOGDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-8-19-13(5-1)15-17-12-4-3-7-16-14(12)18(15)11-6-9-20-10-11/h3-4,7,11,13H,1-2,5-6,8-10H2.
What are the key properties of 2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine?
2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 289.40 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).