3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine

C16H18N4O — CID 117160855

IUPAC3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(C3CCNCC3)nc3cccnc32)o1
InChIInChI=1S/C16H18N4O/c1-11-4-5-14(21-11)20-15(12-6-9-17-10-7-12)19-13-3-2-8-18-16(13)20/h2-5,8,12,17H,6-7,9-10H2,1H3
InChIKeyLWTFAGANQAFBEA-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.79
Rot. Bonds2

About 3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine

3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine (PubChem CID 117160855) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
PubChem CID117160855
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(C3CCNCC3)nc3cccnc32)o1
InChIInChI=1S/C16H18N4O/c1-11-4-5-14(21-11)20-15(12-6-9-17-10-7-12)19-13-3-2-8-18-16(13)20/h2-5,8,12,17H,6-7,9-10H2,1H3
InChIKeyLWTFAGANQAFBEA-UHFFFAOYSA-N
XLogP2.79
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161959
3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160861
3-(5-methylfuran-2-yl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162958
2-[3-(5-methylfuran-2-yl)imidazo[4,5-b]pyridin-2-yl]thiolane 1,1-dioxide
CID 117162452
3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163366
3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine
CID 117160854
3-(5-chlorofuran-2-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161953
3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160696
2-(oxan-4-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160721
3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160796
3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine
CID 117160981
2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117161034

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine (CID 117160855) is 3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine is Cc1ccc(-n2c(C3CCNCC3)nc3cccnc32)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine?
The InChIKey is LWTFAGANQAFBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-11-4-5-14(21-11)20-15(12-6-9-17-10-7-12)19-13-3-2-8-18-16(13)20/h2-5,8,12,17H,6-7,9-10H2,1H3.
What are the key properties of 3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine?
3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine has a molecular weight of 282.35 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117160855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).