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

C17H20N4O — CID 117164354

IUPAC2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(-c2nc3cccnc3n2CC2CCCN2C)o1
InChIInChI=1S/C17H20N4O/c1-12-7-8-15(22-12)17-19-14-6-3-9-18-16(14)21(17)11-13-5-4-10-20(13)2/h3,6-9,13H,4-5,10-11H2,1-2H3
InChIKeyVNTDTSQTALMJNI-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.09
Rot. Bonds3

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

2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117164354) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID117164354
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCc1ccc(-c2nc3cccnc3n2CC2CCCN2C)o1
InChIInChI=1S/C17H20N4O/c1-12-7-8-15(22-12)17-19-14-6-3-9-18-16(14)21(17)11-13-5-4-10-20(13)2/h3,6-9,13H,4-5,10-11H2,1-2H3
InChIKeyVNTDTSQTALMJNI-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164356
2-(furan-2-yl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164375
2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294737
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161911
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162907
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine
CID 117164362
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161227
3-[(1-methylpyrrolidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161921
2-(5-chlorofuran-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164355
2-[2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163166
3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161937
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 2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine (CID 117164354) is 2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine is Cc1ccc(-c2nc3cccnc3n2CC2CCCN2C)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is VNTDTSQTALMJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-7-8-15(22-12)17-19-14-6-3-9-18-16(14)21(17)11-13-5-4-10-20(13)2/h3,6-9,13H,4-5,10-11H2,1-2H3.
What are the key properties of 2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 296.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).