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

C16H17ClN4O — CID 117161274

IUPAC3-(5-chlorofuran-2-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCC(Cc2nc3cccnc3n2-c2ccc(Cl)o2)C1
InChIInChI=1S/C16H17ClN4O/c1-20-8-6-11(10-20)9-14-19-12-3-2-7-18-16(12)21(14)15-5-4-13(17)22-15/h2-5,7,11H,6,8-10H2,1H3
InChIKeyAHTQXKKGGMFBEO-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.16
Rot. Bonds3

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

3-(5-chlorofuran-2-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117161274) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-(5-chlorofuran-2-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(5-chlorofuran-2-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID117161274
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name3-(5-chlorofuran-2-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCC(Cc2nc3cccnc3n2-c2ccc(Cl)o2)C1
InChIInChI=1S/C16H17ClN4O/c1-20-8-6-11(10-20)9-14-19-12-3-2-7-18-16(12)21(14)15-5-4-13(17)22-15/h2-5,7,11H,6,8-10H2,1H3
InChIKeyAHTQXKKGGMFBEO-UHFFFAOYSA-N
XLogP3.16
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161399
3-(3-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161382
3-(1-methylpiperidin-3-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161161
2-[(1-methylpyrrolidin-3-yl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117161203
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
2-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117164029
3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163366
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163638
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117161335
3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161667
2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294526
2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161555

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorofuran-2-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-(5-chlorofuran-2-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine (CID 117161274) is 3-(5-chlorofuran-2-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(5-chlorofuran-2-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(5-chlorofuran-2-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine is CN1CCC(Cc2nc3cccnc3n2-c2ccc(Cl)o2)C1.
What is the InChIKey of 3-(5-chlorofuran-2-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is AHTQXKKGGMFBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-20-8-6-11(10-20)9-14-19-12-3-2-7-18-16(12)21(14)15-5-4-13(17)22-15/h2-5,7,11H,6,8-10H2,1H3.
What are the key properties of 3-(5-chlorofuran-2-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine?
3-(5-chlorofuran-2-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 316.79 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorofuran-2-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).