(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one

C24H23ClN6O2 — CID 46700292

About (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 46700292) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one
• PubChem CID: 46700292
• Molecular Formula: C24H23ClN6O2
• Molecular Weight: 462.94 g/mol
• Exact Mass: 462.16
• IUPAC Name: (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one
• SMILES: Cc1ccc(-c2noc(CN3CCN(C(=O)/C=C/c4c(Cl)nc5ccccn45)CC3)n2)cc1
• InChI: InChI=1S/C24H23ClN6O2/c1-17-5-7-18(8-6-17)24-27-21(33-28-24)16-29-12-14-30(15-13-29)22(32)10-9-19-23(25)26-20-4-2-3-11-31(19)20/h2-11H,12-16H2,1H3/b10-9+
• InChIKey: KKLUSDNREGMEPY-MDZDMXLPSA-N
• XLogP: 3.70
• TPSA: 79.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.94
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one?

The IUPAC name of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one (CID 46700292) is (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one.

What is the SMILES notation for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one?

The canonical SMILES for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one is Cc1ccc(-c2noc(CN3CCN(C(=O)/C=C/c4c(Cl)nc5ccccn45)CC3)n2)cc1.

What is the InChIKey of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one?

The InChIKey is KKLUSDNREGMEPY-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-17-5-7-18(8-6-17)24-27-21(33-28-24)16-29-12-14-30(15-13-29)22(32)10-9-19-23(25)26-20-4-2-3-11-31(19)20/h2-11H,12-16H2,1H3/b10-9+.

What are the key properties of (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one?

(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 462.94 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 46700292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).