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

C16H17N3O2 — CID 117163366

IUPAC3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CC3CCCO3)nc3cccnc32)o1
InChIInChI=1S/C16H17N3O2/c1-11-6-7-15(21-11)19-14(10-12-4-3-9-20-12)18-13-5-2-8-17-16(13)19/h2,5-8,12H,3-4,9-10H2,1H3
InChIKeyACEYDLZQVIFDHZ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.04
Rot. Bonds3

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

3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163366) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163366
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CC3CCCO3)nc3cccnc32)o1
InChIInChI=1S/C16H17N3O2/c1-11-6-7-15(21-11)19-14(10-12-4-3-9-20-12)18-13-5-2-8-17-16(13)19/h2,5-8,12H,3-4,9-10H2,1H3
InChIKeyACEYDLZQVIFDHZ-UHFFFAOYSA-N
XLogP3.04
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163742
2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163159
2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine
CID 117163778
3-(1-methylpiperidin-4-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163204
3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163565
3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163403
3-(1-ethylpiperidin-3-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163257
2-(oxolan-2-ylmethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117163243
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-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163638
3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161959

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117163366) is 3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine is Cc1ccc(-n2c(CC3CCCO3)nc3cccnc32)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is ACEYDLZQVIFDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-6-7-15(21-11)19-14(10-12-4-3-9-20-12)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-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 283.33 g/mol, XLogP of 3.04, 3 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-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).