4-[[1-[1-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-[4-(4-fluorophenyl)phenyl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

C145H155FN26O19 — CID 158399169

About 4-[[1-[1-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-[4-(4-fluorophenyl)phenyl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

4-[[1-[1-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-[4-(4-fluorophenyl)phenyl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 158399169) has the molecular formula C145H155FN26O19 and a molecular weight of 2585.00 g/mol. Its IUPAC name is 4-[[1-[1-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-[4-(4-fluorophenyl)phenyl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[[1-[1-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-[4-(4-fluorophenyl)phenyl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• PubChem CID: 158399169
• Molecular Formula: C145H155FN26O19
• Molecular Weight: 2585.00 g/mol
• Exact Mass: 2583.19
• IUPAC Name: 4-[[1-[1-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-[4-(4-fluorophenyl)phenyl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• SMILES: C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6CCN(C(=O)C7CCCC7)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6CCN(C(=O)C7CCOCC7)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)Cc6ccc(-c7ccc(F)cc7)cc6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)c6cccc(C#Cc7ccccc7)c6)CC5)c4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C38H34N6O4.C37H35FN6O4.C35H43N7O6.C35H43N7O5/c1-25-13-16-33(35(45)41-25)44-37(47)31-11-6-12-32(34(31)38(44)48)39-22-28-23-40-43(24-28)30-17-19-42(20-18-30)36(46)29-10-5-9-27(21-29)15-14-26-7-3-2-4-8-26;1-23-5-14-32(35(46)41-23)44-36(47)30-3-2-4-31(34(30)37(44)48)39-20-25-21-40-43(22-25)29-15-17-42(18-16-29)33(45)19-24-6-8-26(9-7-24)27-10-12-28(38)13-11-27;1-22-5-6-29(31(43)38-22)42-34(46)27-3-2-4-28(30(27)35(42)47)36-19-23-20-37-41(21-23)26-9-15-40(16-10-26)32(44)24-7-13-39(14-8-24)33(45)25-11-17-48-18-12-25;1-22-9-10-29(31(43)38-22)42-34(46)27-7-4-8-28(30(27)35(42)47)36-19-23-20-37-41(21-23)26-13-17-40(18-14-26)33(45)25-11-15-39(16-12-25)32(44)24-5-2-3-6-24/h2-12,21,23-24,30,33,39H,1,13,16-20,22H2,(H,41,45);2-4,6-13,21-22,29,32,39H,1,5,14-20H2,(H,41,46);2-4,20-21,24-26,29,36H,1,5-19H2,(H,38,43);4,7-8,20-21,24-26,29,36H,1-3,5-6,9-19H2,(H,38,43)
• InChIKey: GXWVGEZXMADUDM-UHFFFAOYSA-N
• XLogP: 16.04
• TPSA: 516.41 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 31
• Rotatable Bonds: 28
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2585.00
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-[4-(4-fluorophenyl)phenyl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The IUPAC name of 4-[[1-[1-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-[4-(4-fluorophenyl)phenyl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 158399169) is 4-[[1-[1-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-[4-(4-fluorophenyl)phenyl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

What is the SMILES notation for 4-[[1-[1-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-[4-(4-fluorophenyl)phenyl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The canonical SMILES for 4-[[1-[1-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-[4-(4-fluorophenyl)phenyl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6CCN(C(=O)C7CCCC7)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6CCN(C(=O)C7CCOCC7)CC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)Cc6ccc(-c7ccc(F)cc7)cc6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)c6cccc(C#Cc7ccccc7)c6)CC5)c4)c3C2=O)C(=O)N1.

What is the InChIKey of 4-[[1-[1-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-[4-(4-fluorophenyl)phenyl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The InChIKey is GXWVGEZXMADUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N6O4.C37H35FN6O4.C35H43N7O6.C35H43N7O5/c1-25-13-16-33(35(45)41-25)44-37(47)31-11-6-12-32(34(31)38(44)48)39-22-28-23-40-43(24-28)30-17-19-42(20-18-30)36(46)29-10-5-9-27(21-29)15-14-26-7-3-2-4-8-26;1-23-5-14-32(35(46)41-23)44-36(47)30-3-2-4-31(34(30)37(44)48)39-20-25-21-40-43(22-25)29-15-17-42(18-16-29)33(45)19-24-6-8-26(9-7-24)27-10-12-28(38)13-11-27;1-22-5-6-29(31(43)38-22)42-34(46)27-3-2-4-28(30(27)35(42)47)36-19-23-20-37-41(21-23)26-9-15-40(16-10-26)32(44)24-7-13-39(14-8-24)33(45)25-11-17-48-18-12-25;1-22-9-10-29(31(43)38-22)42-34(46)27-7-4-8-28(30(27)35(42)47)36-19-23-20-37-41(21-23)26-13-17-40(18-14-26)33(45)25-11-15-39(16-12-25)32(44)24-5-2-3-6-24/h2-12,21,23-24,30,33,39H,1,13,16-20,22H2,(H,41,45);2-4,6-13,21-22,29,32,39H,1,5,14-20H2,(H,41,46);2-4,20-21,24-26,29,36H,1,5-19H2,(H,38,43);4,7-8,20-21,24-26,29,36H,1-3,5-6,9-19H2,(H,38,43).

What are the key properties of 4-[[1-[1-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-[4-(4-fluorophenyl)phenyl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

4-[[1-[1-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-[4-(4-fluorophenyl)phenyl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 2585.00 g/mol, XLogP of 16.04, 28 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[1-[1-(cyclopentanecarbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-[2-[4-(4-fluorophenyl)phenyl]acetyl]piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(oxane-4-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[3-(2-phenylethynyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 158399169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).