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

C16H21N3OS — CID 117162430

IUPAC3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCS1)n2CC1CCCOC1
InChIInChI=1S/C16H21N3OS/c1-5-13-15(17-7-1)19(10-12-4-2-8-20-11-12)16(18-13)14-6-3-9-21-14/h1,5,7,12,14H,2-4,6,8-11H2
InChIKeyRSNYKWARDQRIIV-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.43
Rot. Bonds3

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

3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162430) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162430
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCS1)n2CC1CCCOC1
InChIInChI=1S/C16H21N3OS/c1-5-13-15(17-7-1)19(10-12-4-2-8-20-11-12)16(18-13)14-6-3-9-21-14/h1,5,7,12,14H,2-4,6,8-11H2
InChIKeyRSNYKWARDQRIIV-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxolan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162242
3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162433
2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163970
2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117162166
3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162552
3-(pyrrolidin-3-ylmethyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162806
3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162355
3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162519
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162907
N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163129
2-(1-methylpyrrolidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160142
2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161818

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (CID 117162430) is 3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(C1CCCS1)n2CC1CCCOC1.
What is the InChIKey of 3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is RSNYKWARDQRIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-5-13-15(17-7-1)19(10-12-4-2-8-20-11-12)16(18-13)14-6-3-9-21-14/h1,5,7,12,14H,2-4,6,8-11H2.
What are the key properties of 3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 303.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).