3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine

C24H24N4O2S — CID 46286859

IUPAC3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine
SMILESO=S(=O)(Cc1ccccc1)N1CCC(n2c(-c3ccccc3)nc3cccnc32)CC1
InChIInChI=1S/C24H24N4O2S/c29-31(30,18-19-8-3-1-4-9-19)27-16-13-21(14-17-27)28-23(20-10-5-2-6-11-20)26-22-12-7-15-25-24(22)28/h1-12,15,21H,13-14,16-18H2
InChIKeyQLULJDKATDXKOI-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.27
Rot. Bonds5

About 3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine

3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine (PubChem CID 46286859) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine
PubChem CID46286859
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine
SMILESO=S(=O)(Cc1ccccc1)N1CCC(n2c(-c3ccccc3)nc3cccnc32)CC1
InChIInChI=1S/C24H24N4O2S/c29-31(30,18-19-8-3-1-4-9-19)27-16-13-21(14-17-27)28-23(20-10-5-2-6-11-20)26-22-12-7-15-25-24(22)28/h1-12,15,21H,13-14,16-18H2
InChIKeyQLULJDKATDXKOI-UHFFFAOYSA-N
XLogP4.27
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine (CID 46286859) is 3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine is O=S(=O)(Cc1ccccc1)N1CCC(n2c(-c3ccccc3)nc3cccnc32)CC1.
What is the InChIKey of 3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine?
The InChIKey is QLULJDKATDXKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c29-31(30,18-19-8-3-1-4-9-19)27-16-13-21(14-17-27)28-23(20-10-5-2-6-11-20)26-22-12-7-15-25-24(22)28/h1-12,15,21H,13-14,16-18H2.
What are the key properties of 3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine?
3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine has a molecular weight of 432.55 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylsulfonylpiperidin-4-yl)-2-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 46286859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).