3-[5-(furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine

C22H16N2O3S2 — CID 164628907

IUPAC3-[5-(furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(-c5ccoc5)s4)cnc3c2)cc1
InChIInChI=1S/C22H16N2O3S2/c1-29(25,26)18-4-2-15(3-5-18)16-8-10-24-19(13-23-22(24)12-16)21-7-6-20(28-21)17-9-11-27-14-17/h2-14H,1H3
InChIKeyRMDPUXONYMESOH-UHFFFAOYSA-N
MW420.52 g/mol
LogP5.39
Rot. Bonds4

About 3-[5-(furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine

3-[5-(furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine (PubChem CID 164628907) has the molecular formula C22H16N2O3S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 3-[5-(furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[5-(furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
PubChem CID164628907
Molecular FormulaC22H16N2O3S2
Molecular Weight420.52 g/mol
Exact Mass420.06
IUPAC Name3-[5-(furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(-c5ccoc5)s4)cnc3c2)cc1
InChIInChI=1S/C22H16N2O3S2/c1-29(25,26)18-4-2-15(3-5-18)16-8-10-24-19(13-23-22(24)12-16)21-7-6-20(28-21)17-9-11-27-14-17/h2-14H,1H3
InChIKeyRMDPUXONYMESOH-UHFFFAOYSA-N
XLogP5.39
TPSA64.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[5-(furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine (CID 164628907) is 3-[5-(furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[5-(furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[5-(furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine is CS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(-c5ccoc5)s4)cnc3c2)cc1.
What is the InChIKey of 3-[5-(furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is RMDPUXONYMESOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3S2/c1-29(25,26)18-4-2-15(3-5-18)16-8-10-24-19(13-23-22(24)12-16)21-7-6-20(28-21)17-9-11-27-14-17/h2-14H,1H3.
What are the key properties of 3-[5-(furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
3-[5-(furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 420.52 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 164628907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).