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

C17H20N4O — CID 117162140

IUPAC3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCC(c2nc3cccnc3n2Cc2ccco2)C1
InChIInChI=1S/C17H20N4O/c1-20-9-3-5-13(11-20)16-19-15-7-2-8-18-17(15)21(16)12-14-6-4-10-22-14/h2,4,6-8,10,13H,3,5,9,11-12H2,1H3
InChIKeyKVFPHCKOPFFHLB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.88
Rot. Bonds3

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

3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117162140) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
PubChem CID117162140
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCC(c2nc3cccnc3n2Cc2ccco2)C1
InChIInChI=1S/C17H20N4O/c1-20-9-3-5-13(11-20)16-19-15-7-2-8-18-17(15)21(16)12-14-6-4-10-22-14/h2,4,6-8,10,13H,3,5,9,11-12H2,1H3
InChIKeyKVFPHCKOPFFHLB-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-ylmethyl)-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162710
2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161818
3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162037
2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117164392
2-(1-methylpyrrolidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160142
3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117160406
bis((E)-but-2-enedioic acid);3-(2-ethoxyethyl)-2-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-b]pyridine
CID 67923199
3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117160046
1-(furan-2-ylmethyl)-4-(1-methylpiperidin-3-yl)-1,3,5-triazine-2-thione
CID 57180301
3-(1-methylpyrrolidin-2-yl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117160229
3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163565
2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117161760

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine (CID 117162140) is 3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine is CN1CCCC(c2nc3cccnc3n2Cc2ccco2)C1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is KVFPHCKOPFFHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-20-9-3-5-13(11-20)16-19-15-7-2-8-18-17(15)21(16)12-14-6-4-10-22-14/h2,4,6-8,10,13H,3,5,9,11-12H2,1H3.
What are the key properties of 3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine?
3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 296.37 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).