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

C16H17N3O2 — CID 117163565

IUPAC3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1coc(Cn2c(CC3CCCO3)nc3cccnc32)c1
InChIInChI=1S/C16H17N3O2/c1-6-14-16(17-7-1)19(11-13-5-3-9-21-13)15(18-14)10-12-4-2-8-20-12/h1,3,5-7,9,12H,2,4,8,10-11H2
InChIKeyJXUFGGAWSRSGLC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.79
Rot. Bonds4

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

3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163565) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163565
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1coc(Cn2c(CC3CCCO3)nc3cccnc32)c1
InChIInChI=1S/C16H17N3O2/c1-6-14-16(17-7-1)19(11-13-5-3-9-21-13)15(18-14)10-12-4-2-8-20-12/h1,3,5-7,9,12H,2,4,8,10-11H2
InChIKeyJXUFGGAWSRSGLC-UHFFFAOYSA-N
XLogP2.79
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-ylmethyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162710
2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163159
3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163742
2-(oxolan-2-ylmethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117163243
3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163403
3-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine;oxalic acid
CID 159440701
2-[3-(furan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117160032
2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163696
3-(oxolan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161594
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163638
3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163366
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-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117163565) is 3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine is c1coc(Cn2c(CC3CCCO3)nc3cccnc32)c1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is JXUFGGAWSRSGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-6-14-16(17-7-1)19(11-13-5-3-9-21-13)15(18-14)10-12-4-2-8-20-12/h1,3,5-7,9,12H,2,4,8,10-11H2.
What are the key properties of 3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 283.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).