3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine

C18H20N4 — CID 117163089

IUPAC3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(C3CCCCN3)nc3cccnc32)cc1
InChIInChI=1S/C18H20N4/c1-13-7-9-14(10-8-13)22-17-16(6-4-12-20-17)21-18(22)15-5-2-3-11-19-15/h4,6-10,12,15,19H,2-3,5,11H2,1H3
InChIKeyVTKNZNRGXNMPNO-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.54
Rot. Bonds2

About 3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine

3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine (PubChem CID 117163089) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
PubChem CID117163089
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(C3CCCCN3)nc3cccnc32)cc1
InChIInChI=1S/C18H20N4/c1-13-7-9-14(10-8-13)22-17-16(6-4-12-20-17)21-18(22)15-5-2-3-11-19-15/h4,6-10,12,15,19H,2-3,5,11H2,1H3
InChIKeyVTKNZNRGXNMPNO-UHFFFAOYSA-N
XLogP3.54
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine (CID 117163089) is 3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine is Cc1ccc(-n2c(C3CCCCN3)nc3cccnc32)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine?
The InChIKey is VTKNZNRGXNMPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-13-7-9-14(10-8-13)22-17-16(6-4-12-20-17)21-18(22)15-5-2-3-11-19-15/h4,6-10,12,15,19H,2-3,5,11H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine?
3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine has a molecular weight of 292.39 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117163089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).