4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidin-1-yl]-3-oxopropanenitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

C109H123N25O17 — CID 157354493

About 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidin-1-yl]-3-oxopropanenitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidin-1-yl]-3-oxopropanenitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 157354493) has the molecular formula C109H123N25O17 and a molecular weight of 2055.34 g/mol. Its IUPAC name is 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidin-1-yl]-3-oxopropanenitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidin-1-yl]-3-oxopropanenitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• PubChem CID: 157354493
• Molecular Formula: C109H123N25O17
• Molecular Weight: 2055.34 g/mol
• Exact Mass: 2053.95
• IUPAC Name: 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidin-1-yl]-3-oxopropanenitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• SMILES: C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C(C)(C)O)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC(C6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC#N)CC5)c4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C29H32N6O4.C27H32N6O5.C27H32N6O4.C26H27N7O4/c1-17-5-6-23(25(36)32-17)35-26(37)21-3-2-4-22(24(21)27(35)38)30-14-19-15-31-34(16-19)20-7-9-33(10-8-20)28(39)29-11-18(12-29)13-29;1-16-7-8-21(23(34)30-16)33-24(35)19-5-4-6-20(22(19)25(33)36)28-13-17-14-29-32(15-17)18-9-11-31(12-10-18)26(37)27(2,3)38;1-16(2)25(35)31-11-9-19(10-12-31)32-15-18(14-29-32)13-28-21-6-4-5-20-23(21)27(37)33(26(20)36)22-8-7-17(3)30-24(22)34;1-16-5-6-21(24(35)30-16)33-25(36)19-3-2-4-20(23(19)26(33)37)28-13-17-14-29-32(15-17)18-8-11-31(12-9-18)22(34)7-10-27/h2-4,15-16,18,20,23,30H,1,5-14H2,(H,32,36);4-6,14-15,18,21,28,38H,1,7-13H2,2-3H3,(H,30,34);4-6,14-16,19,22,28H,3,7-13H2,1-2H3,(H,30,34);2-4,14-15,18,21,28H,1,5-9,11-13H2,(H,30,35)
• InChIKey: BHXQBCMJSNWIJX-UHFFFAOYSA-N
• XLogP: 9.33
• TPSA: 510.58 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2055.34
LogP ≤ 5	9.33
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidin-1-yl]-3-oxopropanenitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The IUPAC name of 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidin-1-yl]-3-oxopropanenitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 157354493) is 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidin-1-yl]-3-oxopropanenitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

What is the SMILES notation for 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidin-1-yl]-3-oxopropanenitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The canonical SMILES for 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidin-1-yl]-3-oxopropanenitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C(C)(C)O)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C67CC(C6)C7)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)CC#N)CC5)c4)c3C2=O)C(=O)N1.

What is the InChIKey of 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidin-1-yl]-3-oxopropanenitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The InChIKey is BHXQBCMJSNWIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O4.C27H32N6O5.C27H32N6O4.C26H27N7O4/c1-17-5-6-23(25(36)32-17)35-26(37)21-3-2-4-22(24(21)27(35)38)30-14-19-15-31-34(16-19)20-7-9-33(10-8-20)28(39)29-11-18(12-29)13-29;1-16-7-8-21(23(34)30-16)33-24(35)19-5-4-6-20(22(19)25(33)36)28-13-17-14-29-32(15-17)18-9-11-31(12-10-18)26(37)27(2,3)38;1-16(2)25(35)31-11-9-19(10-12-31)32-15-18(14-29-32)13-28-21-6-4-5-20-23(21)27(37)33(26(20)36)22-8-7-17(3)30-24(22)34;1-16-5-6-21(24(35)30-16)33-25(36)19-3-2-4-20(23(19)26(33)37)28-13-17-14-29-32(15-17)18-8-11-31(12-9-18)22(34)7-10-27/h2-4,15-16,18,20,23,30H,1,5-14H2,(H,32,36);4-6,14-15,18,21,28,38H,1,7-13H2,2-3H3,(H,30,34);4-6,14-16,19,22,28H,3,7-13H2,1-2H3,(H,30,34);2-4,14-15,18,21,28H,1,5-9,11-13H2,(H,30,35).

What are the key properties of 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidin-1-yl]-3-oxopropanenitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidin-1-yl]-3-oxopropanenitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 2055.34 g/mol, XLogP of 9.33, 24 rotatable bonds, 9 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[1-(bicyclo[1.1.1]pentane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;3-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidin-1-yl]-3-oxopropanenitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 157354493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).