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

C17H20N4O — CID 117164392

IUPAC2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCCC(Cn2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C17H20N4O/c1-20-9-3-5-13(11-20)12-21-16-14(6-2-8-18-16)19-17(21)15-7-4-10-22-15/h2,4,6-8,10,13H,3,5,9,11-12H2,1H3
InChIKeyUHAPKHIKERRBNN-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.03
Rot. Bonds3

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

2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117164392) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID117164392
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCCC(Cn2c(-c3ccco3)nc3cccnc32)C1
InChIInChI=1S/C17H20N4O/c1-20-9-3-5-13(11-20)12-21-16-14(6-2-8-18-16)19-17(21)15-7-4-10-22-15/h2,4,6-8,10,13H,3,5,9,11-12H2,1H3
InChIKeyUHAPKHIKERRBNN-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine (CID 117164392) is 2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine is CN1CCCC(Cn2c(-c3ccco3)nc3cccnc32)C1.
What is the InChIKey of 2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is UHAPKHIKERRBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20-9-3-5-13(11-20)12-21-16-14(6-2-8-18-16)19-17(21)15-7-4-10-22-15/h2,4,6-8,10,13H,3,5,9,11-12H2,1H3.
What are the key properties of 2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine?
2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 296.37 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).