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

C16H21N3OS — CID 117160304

IUPAC3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCSC1)n2CC1CCCCO1
InChIInChI=1S/C16H21N3OS/c1-2-8-20-13(4-1)10-19-15(12-6-9-21-11-12)18-14-5-3-7-17-16(14)19/h3,5,7,12-13H,1-2,4,6,8-11H2
InChIKeyRDWCXMSOQCKQCE-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.22
Rot. Bonds3

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

3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117160304) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
PubChem CID117160304
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCSC1)n2CC1CCCCO1
InChIInChI=1S/C16H21N3OS/c1-2-8-20-13(4-1)10-19-15(12-6-9-21-11-12)18-14-5-3-7-17-16(14)19/h3,5,7,12-13H,1-2,4,6,8-11H2
InChIKeyRDWCXMSOQCKQCE-UHFFFAOYSA-N
XLogP3.22
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161927
3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161893
3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160449
3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289014
4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117160431
3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117162925
3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117160041
2-(thian-3-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161914
2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162932
2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117162755
2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117165795
3-(oxan-2-ylmethyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161600

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine (CID 117160304) is 3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(C1CCSC1)n2CC1CCCCO1.
What is the InChIKey of 3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is RDWCXMSOQCKQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-8-20-13(4-1)10-19-15(12-6-9-21-11-12)18-14-5-3-7-17-16(14)19/h3,5,7,12-13H,1-2,4,6,8-11H2.
What are the key properties of 3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine?
3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 303.43 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117160304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).