2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine

C52H49Cl5N12O4 — CID 157162002

About 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine

2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine (PubChem CID 157162002) has the molecular formula C52H49Cl5N12O4 and a molecular weight of 1083.31 g/mol. Its IUPAC name is 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine.

Molecular Properties

• Compound Name: 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine
• PubChem CID: 157162002
• Molecular Formula: C52H49Cl5N12O4
• Molecular Weight: 1083.31 g/mol
• Exact Mass: 1080.24
• IUPAC Name: 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine
• SMILES: COc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4ccccn4)c(Cl)c3-c3ccccn3)CC2)ccc1Cl.Clc1c(-c2ccccn2)n[nH]c1-c1ccccn1
• InChI: InChI=1S/C26H24Cl2N6O2.C13H16Cl2N2O2.C13H9ClN4/c1-36-22-16-18(8-9-19(22)27)32-12-14-33(15-13-32)23(35)17-34-26(21-7-3-5-11-30-21)24(28)25(31-34)20-6-2-4-10-29-20;1-19-12-8-10(2-3-11(12)15)16-4-6-17(7-5-16)13(18)9-14;14-11-12(9-5-1-3-7-15-9)17-18-13(11)10-6-2-4-8-16-10/h2-11,16H,12-15,17H2,1H3;2-3,8H,4-7,9H2,1H3;1-8H,(H,17,18)
• InChIKey: AMMHWGWSYDPJRU-UHFFFAOYSA-N
• XLogP: 10.09
• TPSA: 163.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1083.31
LogP ≤ 5	10.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine?

The IUPAC name of 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine (CID 157162002) is 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine.

What is the SMILES notation for 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine?

The canonical SMILES for 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine is COc1cc(N2CCN(C(=O)CCl)CC2)ccc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(-c4ccccn4)c(Cl)c3-c3ccccn3)CC2)ccc1Cl.Clc1c(-c2ccccn2)n[nH]c1-c1ccccn1.

What is the InChIKey of 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine?

The InChIKey is AMMHWGWSYDPJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2N6O2.C13H16Cl2N2O2.C13H9ClN4/c1-36-22-16-18(8-9-19(22)27)32-12-14-33(15-13-32)23(35)17-34-26(21-7-3-5-11-30-21)24(28)25(31-34)20-6-2-4-10-29-20;1-19-12-8-10(2-3-11(12)15)16-4-6-17(7-5-16)13(18)9-14;14-11-12(9-5-1-3-7-15-9)17-18-13(11)10-6-2-4-8-16-10/h2-11,16H,12-15,17H2,1H3;2-3,8H,4-7,9H2,1H3;1-8H,(H,17,18).

What are the key properties of 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine?

2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine has a molecular weight of 1083.31 g/mol, XLogP of 10.09, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-dipyridin-2-ylpyrazol-1-yl)-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone;2-(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 157162002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).