2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-chloro-4-pyridin-2-yl-2-(trifluoromethyl)pyrrol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C70H65Cl7F12N14O6 — CID 161441503

About 2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-chloro-4-pyridin-2-yl-2-(trifluoromethyl)pyrrol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-chloro-4-pyridin-2-yl-2-(trifluoromethyl)pyrrol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 161441503) has the molecular formula C70H65Cl7F12N14O6 and a molecular weight of 1674.53 g/mol. Its IUPAC name is 2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-chloro-4-pyridin-2-yl-2-(trifluoromethyl)pyrrol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

• Compound Name: 2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-chloro-4-pyridin-2-yl-2-(trifluoromethyl)pyrrol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
• PubChem CID: 161441503
• Molecular Formula: C70H65Cl7F12N14O6
• Molecular Weight: 1674.53 g/mol
• Exact Mass: 1670.28
• IUPAC Name: 2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-chloro-4-pyridin-2-yl-2-(trifluoromethyl)pyrrol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
• SMILES: COc1cc(N2CCN(C(=O)CCl)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3cc(-c4ccccn4)c(Cl)c3C(F)(F)F)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3-c3ccccn3)[C@@H](C)C2)c(F)cc1Cl.FC(F)(F)c1[nH]nc(-c2ccccn2)c1Cl
• InChI: InChI=1S/C24H22Cl2F4N4O2.C23H21Cl2F4N5O2.C14H17Cl2FN2O2.C9H5ClF3N3/c1-14-11-32(19-10-20(36-2)16(25)9-17(19)27)7-8-34(14)21(35)13-33-12-15(18-5-3-4-6-31-18)22(26)23(33)24(28,29)30;1-13-11-32(17-10-18(36-2)14(24)9-15(17)26)7-8-33(13)19(35)12-34-21(16-5-3-4-6-30-16)20(25)22(31-34)23(27,28)29;1-9-8-18(3-4-19(9)14(20)7-15)12-6-13(21-2)10(16)5-11(12)17;10-6-7(5-3-1-2-4-14-5)15-16-8(6)9(11,12)13/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3;3-6,9-10,13H,7-8,11-12H2,1-2H3;5-6,9H,3-4,7-8H2,1-2H3;1-4H,(H,15,16)/t14-;13-;9-;/m000./s1
• InChIKey: VZIGPQHNMPGFMC-GMNHMWKLSA-N
• XLogP: 16.82
• TPSA: 188.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1674.53
LogP ≤ 5	16.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-chloro-4-pyridin-2-yl-2-(trifluoromethyl)pyrrol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?

The IUPAC name of 2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-chloro-4-pyridin-2-yl-2-(trifluoromethyl)pyrrol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 161441503) is 2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-chloro-4-pyridin-2-yl-2-(trifluoromethyl)pyrrol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

What is the SMILES notation for 2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-chloro-4-pyridin-2-yl-2-(trifluoromethyl)pyrrol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?

The canonical SMILES for 2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-chloro-4-pyridin-2-yl-2-(trifluoromethyl)pyrrol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is COc1cc(N2CCN(C(=O)CCl)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3cc(-c4ccccn4)c(Cl)c3C(F)(F)F)[C@@H](C)C2)c(F)cc1Cl.COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(Cl)c3-c3ccccn3)[C@@H](C)C2)c(F)cc1Cl.FC(F)(F)c1[nH]nc(-c2ccccn2)c1Cl.

What is the InChIKey of 2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-chloro-4-pyridin-2-yl-2-(trifluoromethyl)pyrrol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?

The InChIKey is VZIGPQHNMPGFMC-GMNHMWKLSA-N. The full InChI is InChI=1S/C24H22Cl2F4N4O2.C23H21Cl2F4N5O2.C14H17Cl2FN2O2.C9H5ClF3N3/c1-14-11-32(19-10-20(36-2)16(25)9-17(19)27)7-8-34(14)21(35)13-33-12-15(18-5-3-4-6-31-18)22(26)23(33)24(28,29)30;1-13-11-32(17-10-18(36-2)14(24)9-15(17)26)7-8-33(13)19(35)12-34-21(16-5-3-4-6-30-16)20(25)22(31-34)23(27,28)29;1-9-8-18(3-4-19(9)14(20)7-15)12-6-13(21-2)10(16)5-11(12)17;10-6-7(5-3-1-2-4-14-5)15-16-8(6)9(11,12)13/h3-6,9-10,12,14H,7-8,11,13H2,1-2H3;3-6,9-10,13H,7-8,11-12H2,1-2H3;5-6,9H,3-4,7-8H2,1-2H3;1-4H,(H,15,16)/t14-;13-;9-;/m000./s1.

What are the key properties of 2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-chloro-4-pyridin-2-yl-2-(trifluoromethyl)pyrrol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?

2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-chloro-4-pyridin-2-yl-2-(trifluoromethyl)pyrrol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 1674.53 g/mol, XLogP of 16.82, 14 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[4-chloro-5-pyridin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethanone;1-[(2S)-4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-[3-chloro-4-pyridin-2-yl-2-(trifluoromethyl)pyrrol-1-yl]ethanone;2-[4-chloro-5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 161441503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).