3-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-2-(2-phenylethyl)imidazo[4,5-b]pyridine

C26H28N4O — CID 42275957

About 3-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-2-(2-phenylethyl)imidazo[4,5-b]pyridine

3-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-2-(2-phenylethyl)imidazo[4,5-b]pyridine (PubChem CID 42275957) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 3-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-2-(2-phenylethyl)imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 3-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-2-(2-phenylethyl)imidazo[4,5-b]pyridine
• PubChem CID: 42275957
• Molecular Formula: C26H28N4O
• Molecular Weight: 412.54 g/mol
• Exact Mass: 412.23
• IUPAC Name: 3-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-2-(2-phenylethyl)imidazo[4,5-b]pyridine
• SMILES: C(=C/c1ccco1)\CN1CCC(n2c(CCc3ccccc3)nc3cccnc32)CC1
• InChI: InChI=1S/C26H28N4O/c1-2-7-21(8-3-1)12-13-25-28-24-11-4-16-27-26(24)30(25)22-14-18-29(19-15-22)17-5-9-23-10-6-20-31-23/h1-11,16,20,22H,12-15,17-19H2/b9-5+
• InChIKey: GSPGYUMOJCREGS-WEVVVXLNSA-N
• XLogP: 5.16
• TPSA: 47.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.54
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-2-(2-phenylethyl)imidazo[4,5-b]pyridine?

The IUPAC name of 3-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-2-(2-phenylethyl)imidazo[4,5-b]pyridine (CID 42275957) is 3-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-2-(2-phenylethyl)imidazo[4,5-b]pyridine.

What is the SMILES notation for 3-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-2-(2-phenylethyl)imidazo[4,5-b]pyridine?

The canonical SMILES for 3-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-2-(2-phenylethyl)imidazo[4,5-b]pyridine is C(=C/c1ccco1)\CN1CCC(n2c(CCc3ccccc3)nc3cccnc32)CC1.

What is the InChIKey of 3-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-2-(2-phenylethyl)imidazo[4,5-b]pyridine?

The InChIKey is GSPGYUMOJCREGS-WEVVVXLNSA-N. The full InChI is InChI=1S/C26H28N4O/c1-2-7-21(8-3-1)12-13-25-28-24-11-4-16-27-26(24)30(25)22-14-18-29(19-15-22)17-5-9-23-10-6-20-31-23/h1-11,16,20,22H,12-15,17-19H2/b9-5+.

What are the key properties of 3-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-2-(2-phenylethyl)imidazo[4,5-b]pyridine?

3-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-2-(2-phenylethyl)imidazo[4,5-b]pyridine has a molecular weight of 412.54 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]-2-(2-phenylethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 42275957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).