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

C16H18N4O — CID 117160854

IUPAC3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine
SMILESCN1CCC(c2nc3cccnc3n2-c2ccco2)CC1
InChIInChI=1S/C16H18N4O/c1-19-9-6-12(7-10-19)15-18-13-4-2-8-17-16(13)20(15)14-5-3-11-21-14/h2-5,8,11-12H,6-7,9-10H2,1H3
InChIKeyVPBPOHDRCFRUBA-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.82
Rot. Bonds2

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

3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine (PubChem CID 117160854) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine
PubChem CID117160854
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine
SMILESCN1CCC(c2nc3cccnc3n2-c2ccco2)CC1
InChIInChI=1S/C16H18N4O/c1-19-9-6-12(7-10-19)15-18-13-4-2-8-17-16(13)20(15)14-5-3-11-21-14/h2-5,8,11-12H,6-7,9-10H2,1H3
InChIKeyVPBPOHDRCFRUBA-UHFFFAOYSA-N
XLogP2.82
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-2-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117162943
2-[[3-(furan-2-yl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
CID 117165248
3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162140
3-(5-methylfuran-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160855
2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117164220
3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163720
2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117161034
3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160734
3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161793
2-(1-methylpyrrolidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160142
3-(1-methylpyrrolidin-2-yl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117160229
3-(5-methylfuran-2-yl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162958

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine (CID 117160854) is 3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine is CN1CCC(c2nc3cccnc3n2-c2ccco2)CC1.
What is the InChIKey of 3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine?
The InChIKey is VPBPOHDRCFRUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-19-9-6-12(7-10-19)15-18-13-4-2-8-17-16(13)20(15)14-5-3-11-21-14/h2-5,8,11-12H,6-7,9-10H2,1H3.
What are the key properties of 3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine?
3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine has a molecular weight of 282.35 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-(1-methylpiperidin-4-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117160854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).