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

C17H20N4O — CID 117164362

IUPAC3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCCC1Cn1c(-c2ccco2)nc2cccnc21
InChIInChI=1S/C17H20N4O/c1-2-20-10-4-6-13(20)12-21-16-14(7-3-9-18-16)19-17(21)15-8-5-11-22-15/h3,5,7-9,11,13H,2,4,6,10,12H2,1H3
InChIKeyROUZJVLYRQANAH-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.18
Rot. Bonds4

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

3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117164362) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117164362
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine
SMILESCCN1CCCC1Cn1c(-c2ccco2)nc2cccnc21
InChIInChI=1S/C17H20N4O/c1-2-20-10-4-6-13(20)12-21-16-14(7-3-9-18-16)19-17(21)15-8-5-11-22-15/h3,5,7-9,11,13H,2,4,6,10,12H2,1H3
InChIKeyROUZJVLYRQANAH-UHFFFAOYSA-N
XLogP3.18
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164375
2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117164392
2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117164220
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166417
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161912
2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164214
2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164354
2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164356
3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117166193
2-(furan-2-yl)-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117164482
2-ethyl-3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117165786
2-[2-[(1-ethylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylethanamine
CID 117163842

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine (CID 117164362) is 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine is CCN1CCCC1Cn1c(-c2ccco2)nc2cccnc21.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is ROUZJVLYRQANAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-20-10-4-6-13(20)12-21-16-14(7-3-9-18-16)19-17(21)15-8-5-11-22-15/h3,5,7-9,11,13H,2,4,6,10,12H2,1H3.
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine?
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 296.37 g/mol, XLogP of 3.18, 4 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)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).