2-[2-amino-5-(3,5-difluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]ethanone

C125H130F2N26O8S4 — CID 159047500

About 2-[2-amino-5-(3,5-difluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]ethanone

2-[2-amino-5-(3,5-difluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]ethanone (PubChem CID 159047500) has the molecular formula C125H130F2N26O8S4 and a molecular weight of 2290.85 g/mol. Its IUPAC name is 2-[2-amino-5-(3,5-difluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]ethanone.

Molecular Properties

• Compound Name: 2-[2-amino-5-(3,5-difluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]ethanone
• PubChem CID: 159047500
• Molecular Formula: C125H130F2N26O8S4
• Molecular Weight: 2290.85 g/mol
• Exact Mass: 2288.94
• IUPAC Name: 2-[2-amino-5-(3,5-difluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]ethanone
• SMILES: CN1CCN(c2cnc(C(=O)Cc3cc(-c4cccs4)ccc3N)cn2)CC1.Nc1ccc(-c2cc(F)cc(F)c2)cc1CC(=O)c1ccc(N2CCNCC2)cn1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc(N2CCNCC2)cn1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ncc(N2CCNCC2)s1.Nc1ccc(-c2ccco2)cc1CC(=O)c1ncc(N2CCNCC2)s1.Nc1ccc(-c2ccoc2)cc1CC(=O)c1ncc(N2CCNCC2)s1
• InChI: InChI=1S/C23H22F2N4O.C22H23N5O.C21H23N5OS.C21H22N4OS.2C19H20N4O2S/c24-18-10-16(11-19(25)13-18)15-1-3-21(26)17(9-15)12-23(30)22-4-2-20(14-28-22)29-7-5-27-6-8-29;23-19-7-6-17(16-4-2-1-3-5-16)12-18(19)13-21(28)20-14-26-22(15-25-20)27-10-8-24-9-11-27;1-25-6-8-26(9-7-25)21-14-23-18(13-24-21)19(27)12-16-11-15(4-5-17(16)22)20-3-2-10-28-20;22-18-7-6-16(15-4-2-1-3-5-15)12-17(18)13-19(26)21-24-14-20(27-21)25-10-8-23-9-11-25;20-16-2-1-13(14-3-8-25-12-14)9-15(16)10-17(24)19-22-11-18(26-19)23-6-4-21-5-7-23;20-15-4-3-13(17-2-1-9-25-17)10-14(15)11-16(24)19-22-12-18(26-19)23-7-5-21-6-8-23/h1-4,9-11,13-14,27H,5-8,12,26H2;1-7,12,14-15,24H,8-11,13,23H2;2-5,10-11,13-14H,6-9,12,22H2,1H3;1-7,12,14,23H,8-11,13,22H2;1-3,8-9,11-12,21H,4-7,10,20H2;1-4,9-10,12,21H,5-8,11,20H2
• InChIKey: JWVMBOIPPFUQGH-UHFFFAOYSA-N
• XLogP: 17.84
• TPSA: 470.77 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 30
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2290.85
LogP ≤ 5	17.84
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(3,5-difluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]ethanone?

The IUPAC name of 2-[2-amino-5-(3,5-difluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]ethanone (CID 159047500) is 2-[2-amino-5-(3,5-difluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]ethanone.

What is the SMILES notation for 2-[2-amino-5-(3,5-difluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]ethanone?

The canonical SMILES for 2-[2-amino-5-(3,5-difluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]ethanone is CN1CCN(c2cnc(C(=O)Cc3cc(-c4cccs4)ccc3N)cn2)CC1.Nc1ccc(-c2cc(F)cc(F)c2)cc1CC(=O)c1ccc(N2CCNCC2)cn1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc(N2CCNCC2)cn1.Nc1ccc(-c2ccccc2)cc1CC(=O)c1ncc(N2CCNCC2)s1.Nc1ccc(-c2ccco2)cc1CC(=O)c1ncc(N2CCNCC2)s1.Nc1ccc(-c2ccoc2)cc1CC(=O)c1ncc(N2CCNCC2)s1.

What is the InChIKey of 2-[2-amino-5-(3,5-difluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]ethanone?

The InChIKey is JWVMBOIPPFUQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O.C22H23N5O.C21H23N5OS.C21H22N4OS.2C19H20N4O2S/c24-18-10-16(11-19(25)13-18)15-1-3-21(26)17(9-15)12-23(30)22-4-2-20(14-28-22)29-7-5-27-6-8-29;23-19-7-6-17(16-4-2-1-3-5-16)12-18(19)13-21(28)20-14-26-22(15-25-20)27-10-8-24-9-11-27;1-25-6-8-26(9-7-25)21-14-23-18(13-24-21)19(27)12-16-11-15(4-5-17(16)22)20-3-2-10-28-20;22-18-7-6-16(15-4-2-1-3-5-15)12-17(18)13-19(26)21-24-14-20(27-21)25-10-8-23-9-11-25;20-16-2-1-13(14-3-8-25-12-14)9-15(16)10-17(24)19-22-11-18(26-19)23-6-4-21-5-7-23;20-15-4-3-13(17-2-1-9-25-17)10-14(15)11-16(24)19-22-12-18(26-19)23-7-5-21-6-8-23/h1-4,9-11,13-14,27H,5-8,12,26H2;1-7,12,14-15,24H,8-11,13,23H2;2-5,10-11,13-14H,6-9,12,22H2,1H3;1-7,12,14,23H,8-11,13,22H2;1-3,8-9,11-12,21H,4-7,10,20H2;1-4,9-10,12,21H,5-8,11,20H2.

What are the key properties of 2-[2-amino-5-(3,5-difluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]ethanone?

2-[2-amino-5-(3,5-difluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]ethanone has a molecular weight of 2290.85 g/mol, XLogP of 17.84, 30 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-amino-5-(3,5-difluorophenyl)phenyl]-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[5-(4-methylpiperazin-1-yl)pyrazin-2-yl]ethanone is sourced from PubChem (CID 159047500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).