3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine

C18H26N4O — CID 117162835

IUPAC3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCCC(n2c(C3CCCCO3)nc3cccnc32)C1
InChIInChI=1S/C18H26N4O/c1-2-21-11-6-7-14(13-21)22-17-15(8-5-10-19-17)20-18(22)16-9-3-4-12-23-16/h5,8,10,14,16H,2-4,6-7,9,11-13H2,1H3
InChIKeyXSSZTGIMHQHWHC-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.33
Rot. Bonds3

About 3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine

3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162835) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162835
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCCC(n2c(C3CCCCO3)nc3cccnc32)C1
InChIInChI=1S/C18H26N4O/c1-2-21-11-6-7-14(13-21)22-17-15(8-5-10-19-17)20-18(22)16-9-3-4-12-23-16/h5,8,10,14,16H,2-4,6-7,9,11-13H2,1H3
InChIKeyXSSZTGIMHQHWHC-UHFFFAOYSA-N
XLogP3.33
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162855
3-(1-ethylpiperidin-3-yl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162305
3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-amine
CID 79289515
3-(1-ethylpiperidin-3-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163257
2-(1-ethylpiperidin-3-yl)-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117161788
3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161767
3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 45237210
2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117162755
3-ethyl-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162543
3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160734
3-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 45217578
3-(1-ethylpyrrolidin-3-yl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine
CID 117164175

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine (CID 117162835) is 3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine is CCN1CCCC(n2c(C3CCCCO3)nc3cccnc32)C1.
What is the InChIKey of 3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is XSSZTGIMHQHWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-2-21-11-6-7-14(13-21)22-17-15(8-5-10-19-17)20-18(22)16-9-3-4-12-23-16/h5,8,10,14,16H,2-4,6-7,9,11-13H2,1H3.
What are the key properties of 3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine?
3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 314.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).