2-(2,5-difluorophenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(2,5-difluorophenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

C139H110F9N25O13S5 — CID 158227647

About 2-(2,5-difluorophenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(2,5-difluorophenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

2-(2,5-difluorophenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(2,5-difluorophenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 158227647) has the molecular formula C139H110F9N25O13S5 and a molecular weight of 2669.89 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(2,5-difluorophenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(2,5-difluorophenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(2,5-difluorophenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 158227647
• Molecular Formula: C139H110F9N25O13S5
• Molecular Weight: 2669.89 g/mol
• Exact Mass: 2667.72
• IUPAC Name: 2-(2,5-difluorophenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(2,5-difluorophenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C(Nc1nccs1)C(c1cc(F)ccc1F)N1Cc2ccc(-c3ccc(N4CCNCC4)cc3)cc2C1=O.O=C(Nc1nccs1)C(c1cc(F)ccc1F)N1Cc2ccc(-c3ccc(N4CCNCC4)cc3F)cc2C1=O.O=C(Nc1nccs1)C(c1cc(F)ccc1O)N1Cc2ccc(-c3ccc(N4CCNCC4)cc3F)cc2C1=O.O=C(Nc1nccs1)C(c1cc(F)ccc1O)N1Cc2ccc(-c3ccc4[nH]ncc4c3)cc2C1=O.O=C(Nc1nccs1)C(c1cc(F)ccc1O)N1Cc2ccc(-c3cnc4[nH]ccc4c3)cc2C1=O
• InChI: InChI=1S/C29H24F3N5O2S.C29H25F2N5O3S.C29H25F2N5O2S.2C26H18FN5O3S/c30-19-3-6-24(31)23(14-19)26(27(38)35-29-34-9-12-40-29)37-16-18-2-1-17(13-22(18)28(37)39)21-5-4-20(15-25(21)32)36-10-7-33-8-11-36;30-19-3-6-25(37)23(14-19)26(27(38)34-29-33-9-12-40-29)36-16-18-2-1-17(13-22(18)28(36)39)21-5-4-20(15-24(21)31)35-10-7-32-8-11-35;30-21-5-8-25(31)24(16-21)26(27(37)34-29-33-11-14-39-29)36-17-20-2-1-19(15-23(20)28(36)38)18-3-6-22(7-4-18)35-12-9-32-10-13-35;27-18-4-6-22(33)20(11-18)23(24(34)30-26-28-7-8-36-26)32-13-16-2-1-15(10-19(16)25(32)35)14-3-5-21-17(9-14)12-29-31-21;27-18-3-4-21(33)20(11-18)22(24(34)31-26-29-7-8-36-26)32-13-16-2-1-14(10-19(16)25(32)35)17-9-15-5-6-28-23(15)30-12-17/h1-6,9,12-15,26,33H,7-8,10-11,16H2,(H,34,35,38);1-6,9,12-15,26,32,37H,7-8,10-11,16H2,(H,33,34,38);1-8,11,14-16,26,32H,9-10,12-13,17H2,(H,33,34,37);1-12,23,33H,13H2,(H,29,31)(H,28,30,34);1-12,22,33H,13H2,(H,28,30)(H,29,31,34)
• InChIKey: GDZMYBRBNSUJOQ-UHFFFAOYSA-N
• XLogP: 24.08
• TPSA: 475.36 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2669.89
LogP ≤ 5	24.08
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(2,5-difluorophenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-(2,5-difluorophenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(2,5-difluorophenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 158227647) is 2-(2,5-difluorophenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(2,5-difluorophenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-(2,5-difluorophenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(2,5-difluorophenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-(2,5-difluorophenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(2,5-difluorophenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Nc1nccs1)C(c1cc(F)ccc1F)N1Cc2ccc(-c3ccc(N4CCNCC4)cc3)cc2C1=O.O=C(Nc1nccs1)C(c1cc(F)ccc1F)N1Cc2ccc(-c3ccc(N4CCNCC4)cc3F)cc2C1=O.O=C(Nc1nccs1)C(c1cc(F)ccc1O)N1Cc2ccc(-c3ccc(N4CCNCC4)cc3F)cc2C1=O.O=C(Nc1nccs1)C(c1cc(F)ccc1O)N1Cc2ccc(-c3ccc4[nH]ncc4c3)cc2C1=O.O=C(Nc1nccs1)C(c1cc(F)ccc1O)N1Cc2ccc(-c3cnc4[nH]ccc4c3)cc2C1=O.

What is the InChIKey of 2-(2,5-difluorophenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(2,5-difluorophenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is GDZMYBRBNSUJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N5O2S.C29H25F2N5O3S.C29H25F2N5O2S.2C26H18FN5O3S/c30-19-3-6-24(31)23(14-19)26(27(38)35-29-34-9-12-40-29)37-16-18-2-1-17(13-22(18)28(37)39)21-5-4-20(15-25(21)32)36-10-7-33-8-11-36;30-19-3-6-25(37)23(14-19)26(27(38)34-29-33-9-12-40-29)36-16-18-2-1-17(13-22(18)28(36)39)21-5-4-20(15-24(21)31)35-10-7-32-8-11-35;30-21-5-8-25(31)24(16-21)26(27(37)34-29-33-11-14-39-29)36-17-20-2-1-19(15-23(20)28(36)38)18-3-6-22(7-4-18)35-12-9-32-10-13-35;27-18-4-6-22(33)20(11-18)23(24(34)30-26-28-7-8-36-26)32-13-16-2-1-15(10-19(16)25(32)35)14-3-5-21-17(9-14)12-29-31-21;27-18-3-4-21(33)20(11-18)22(24(34)31-26-29-7-8-36-26)32-13-16-2-1-14(10-19(16)25(32)35)17-9-15-5-6-28-23(15)30-12-17/h1-6,9,12-15,26,33H,7-8,10-11,16H2,(H,34,35,38);1-6,9,12-15,26,32,37H,7-8,10-11,16H2,(H,33,34,38);1-8,11,14-16,26,32H,9-10,12-13,17H2,(H,33,34,37);1-12,23,33H,13H2,(H,29,31)(H,28,30,34);1-12,22,33H,13H2,(H,28,30)(H,29,31,34).

What are the key properties of 2-(2,5-difluorophenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(2,5-difluorophenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?

2-(2,5-difluorophenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(2,5-difluorophenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 2669.89 g/mol, XLogP of 24.08, 28 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,5-difluorophenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(2,5-difluorophenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(2-fluoro-4-piperazin-1-ylphenyl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[5-(1H-indazol-5-yl)-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide;2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 158227647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).