[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone

C26H23ClF3N5O2 — CID 129225881

About [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone

[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone (PubChem CID 129225881) has the molecular formula C26H23ClF3N5O2 and a molecular weight of 529.95 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone.

Molecular Properties

• Compound Name: [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
• PubChem CID: 129225881
• Molecular Formula: C26H23ClF3N5O2
• Molecular Weight: 529.95 g/mol
• Exact Mass: 529.15
• IUPAC Name: [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
• SMILES: O=C(c1cccc(OCC(F)(F)F)n1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1
• InChI: InChI=1S/C26H23ClF3N5O2/c27-19-9-7-18(8-10-19)24-21(35-11-2-1-5-22(35)32-24)16-33-12-14-34(15-13-33)25(36)20-4-3-6-23(31-20)37-17-26(28,29)30/h1-11H,12-17H2
• InChIKey: SKXWCUSQEMDNAB-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 62.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.95
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone?

The IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone (CID 129225881) is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone.

What is the SMILES notation for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone?

The canonical SMILES for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone is O=C(c1cccc(OCC(F)(F)F)n1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1.

What is the InChIKey of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone?

The InChIKey is SKXWCUSQEMDNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF3N5O2/c27-19-9-7-18(8-10-19)24-21(35-11-2-1-5-22(35)32-24)16-33-12-14-34(15-13-33)25(36)20-4-3-6-23(31-20)37-17-26(28,29)30/h1-11H,12-17H2.

What are the key properties of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone?

[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone has a molecular weight of 529.95 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone is sourced from PubChem (CID 129225881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).