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

C17H20N4O — CID 117164175

IUPAC3-(1-ethylpyrrolidin-3-yl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCC(n2c(-c3ccc(C)o3)nc3cccnc32)C1
InChIInChI=1S/C17H20N4O/c1-3-20-10-8-13(11-20)21-16-14(5-4-9-18-16)19-17(21)15-7-6-12(2)22-15/h4-7,9,13H,3,8,10-11H2,1-2H3
InChIKeyJLPBASWNOKXBBS-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.27
Rot. Bonds3

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

3-(1-ethylpyrrolidin-3-yl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117164175) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(1-ethylpyrrolidin-3-yl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-ethylpyrrolidin-3-yl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine
PubChem CID117164175
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-(1-ethylpyrrolidin-3-yl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCC(n2c(-c3ccc(C)o3)nc3cccnc32)C1
InChIInChI=1S/C17H20N4O/c1-3-20-10-8-13(11-20)21-16-14(5-4-9-18-16)19-17(21)15-7-6-12(2)22-15/h4-7,9,13H,3,8,10-11H2,1-2H3
InChIKeyJLPBASWNOKXBBS-UHFFFAOYSA-N
XLogP3.27
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethylpiperidin-3-yl)imidazo[4,5-b]pyridin-2-amine
CID 79289515
3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161767
3-(1-ethylpiperidin-4-yl)-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164679
2-(1-ethylpiperidin-3-yl)-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117161788
3-(1-ethylpiperidin-3-yl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162305
3-(1-ethylpiperidin-3-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162835
2-(5-chlorofuran-2-yl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117164183
2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164354
2-methyl-3-[(3S)-1-methylpyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53017611
3-(1-ethylpiperidin-3-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163257
3-(1-ethylpiperidin-4-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160696
3-(1-methylpyrrolidin-3-yl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164168

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrrolidin-3-yl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-ethylpyrrolidin-3-yl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine (CID 117164175) is 3-(1-ethylpyrrolidin-3-yl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-ethylpyrrolidin-3-yl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-ethylpyrrolidin-3-yl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine is CCN1CCC(n2c(-c3ccc(C)o3)nc3cccnc32)C1.
What is the InChIKey of 3-(1-ethylpyrrolidin-3-yl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is JLPBASWNOKXBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-3-20-10-8-13(11-20)21-16-14(5-4-9-18-16)19-17(21)15-7-6-12(2)22-15/h4-7,9,13H,3,8,10-11H2,1-2H3.
What are the key properties of 3-(1-ethylpyrrolidin-3-yl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine?
3-(1-ethylpyrrolidin-3-yl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 296.37 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrrolidin-3-yl)-2-(5-methylfuran-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).