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

C16H17N3OS — CID 117161959

IUPAC3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(C3CCCSC3)nc3cccnc32)o1
InChIInChI=1S/C16H17N3OS/c1-11-6-7-14(20-11)19-15(12-4-3-9-21-10-12)18-13-5-2-8-17-16(13)19/h2,5-8,12H,3-4,9-10H2,1H3
InChIKeyLKYRVQWWAIFJLR-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.93
Rot. Bonds2

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

3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117161959) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
PubChem CID117161959
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(C3CCCSC3)nc3cccnc32)o1
InChIInChI=1S/C16H17N3OS/c1-11-6-7-14(20-11)19-15(12-4-3-9-21-10-12)18-13-5-2-8-17-16(13)19/h2,5-8,12H,3-4,9-10H2,1H3
InChIKeyLKYRVQWWAIFJLR-UHFFFAOYSA-N
XLogP3.93
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160855
3-(5-methylfuran-2-yl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162958
3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161893
2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide
CID 117162452
2-(thian-3-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161914
3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160375
3-(5-chlorofuran-2-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161953
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161816
3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163366
3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine
CID 117160981
2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161851
3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160449

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine (CID 117161959) is 3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine is Cc1ccc(-n2c(C3CCCSC3)nc3cccnc32)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is LKYRVQWWAIFJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-6-7-14(20-11)19-15(12-4-3-9-21-10-12)18-13-5-2-8-17-16(13)19/h2,5-8,12H,3-4,9-10H2,1H3.
What are the key properties of 3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine?
3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 299.40 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).