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

C17H24N4O — CID 117162855

IUPAC3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCCC1n1c(C2CCCCO2)nc2cccnc21
InChIInChI=1S/C17H24N4O/c1-2-20-11-6-9-15(20)21-16-13(7-5-10-18-16)19-17(21)14-8-3-4-12-22-14/h5,7,10,14-15H,2-4,6,8-9,11-12H2,1H3
InChIKeyXUZRCDFPIVESKZ-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.29
Rot. Bonds3

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

3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162855) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162855
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCCC1n1c(C2CCCCO2)nc2cccnc21
InChIInChI=1S/C17H24N4O/c1-2-20-11-6-9-15(20)21-16-13(7-5-10-18-16)19-17(21)14-8-3-4-12-22-14/h5,7,10,14-15H,2-4,6,8-9,11-12H2,1H3
InChIKeyXUZRCDFPIVESKZ-UHFFFAOYSA-N
XLogP3.29
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162835
3-(1-ethylpiperidin-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160796
2-ethyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117165731
3-ethyl-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162543
2-(1-ethylpiperidin-2-yl)-3-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162877
2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117166391
2-[3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159869
2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117162755
3-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 45237210
4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117162997
3-(4-methoxyphenyl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117163085
3-(furan-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162943

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine (CID 117162855) is 3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine is CCN1CCCC1n1c(C2CCCCO2)nc2cccnc21.
What is the InChIKey of 3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is XUZRCDFPIVESKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-20-11-6-9-15(20)21-16-13(7-5-10-18-16)19-17(21)14-8-3-4-12-22-14/h5,7,10,14-15H,2-4,6,8-9,11-12H2,1H3.
What are the key properties of 3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine?
3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 300.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrrolidin-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).