4-[[1-[1-(1-fluorocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methoxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;1-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

C143H159F4N31O22 — CID 159930969

About 4-[[1-[1-(1-fluorocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methoxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;1-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione

4-[[1-[1-(1-fluorocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methoxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;1-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 159930969) has the molecular formula C143H159F4N31O22 and a molecular weight of 2740.03 g/mol. Its IUPAC name is 4-[[1-[1-(1-fluorocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methoxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;1-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[[1-[1-(1-fluorocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methoxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;1-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• PubChem CID: 159930969
• Molecular Formula: C143H159F4N31O22
• Molecular Weight: 2740.03 g/mol
• Exact Mass: 2738.22
• IUPAC Name: 4-[[1-[1-(1-fluorocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methoxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;1-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione
• SMILES: C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(C#N)CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(C(F)(F)F)CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(F)CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(O)CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(OC)CCC6)CC5)c4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C29H31F3N6O4.C29H31N7O4.C29H34N6O5.C28H31FN6O4.C28H32N6O5/c1-17-6-7-22(24(39)35-17)38-25(40)20-4-2-5-21(23(20)26(38)41)33-14-18-15-34-37(16-18)19-8-12-36(13-9-19)27(42)28(10-3-11-28)29(30,31)32;1-18-6-7-23(25(37)33-18)36-26(38)21-4-2-5-22(24(21)27(36)39)31-14-19-15-32-35(16-19)20-8-12-34(13-9-20)28(40)29(17-30)10-3-11-29;1-18-7-8-23(25(36)32-18)35-26(37)21-5-3-6-22(24(21)27(35)38)30-15-19-16-31-34(17-19)20-9-13-33(14-10-20)28(39)29(40-2)11-4-12-29;1-17-6-7-22(24(36)32-17)35-25(37)20-4-2-5-21(23(20)26(35)38)30-14-18-15-31-34(16-18)19-8-12-33(13-9-19)27(39)28(29)10-3-11-28;1-17-6-7-22(24(35)31-17)34-25(36)20-4-2-5-21(23(20)26(34)37)29-14-18-15-30-33(16-18)19-8-12-32(13-9-19)27(38)28(39)10-3-11-28/h2,4-5,15-16,19,22,33H,1,3,6-14H2,(H,35,39);2,4-5,15-16,20,23,31H,1,3,6-14H2,(H,33,37);3,5-6,16-17,20,23,30H,1,4,7-15H2,2H3,(H,32,36);2,4-5,15-16,19,22,30H,1,3,6-14H2,(H,32,36);2,4-5,15-16,19,22,29,39H,1,3,6-14H2,(H,31,35)
• InChIKey: NZQBYDUYRPADKZ-UHFFFAOYSA-N
• XLogP: 14.04
• TPSA: 636.45 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2740.03
LogP ≤ 5	14.04
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-(1-fluorocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methoxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;1-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The IUPAC name of 4-[[1-[1-(1-fluorocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methoxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;1-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 159930969) is 4-[[1-[1-(1-fluorocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methoxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;1-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione.

What is the SMILES notation for 4-[[1-[1-(1-fluorocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methoxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;1-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The canonical SMILES for 4-[[1-[1-(1-fluorocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methoxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;1-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(C#N)CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(C(F)(F)F)CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(F)CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(O)CCC6)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCN(C(=O)C6(OC)CCC6)CC5)c4)c3C2=O)C(=O)N1.

What is the InChIKey of 4-[[1-[1-(1-fluorocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methoxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;1-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

The InChIKey is NZQBYDUYRPADKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N6O4.C29H31N7O4.C29H34N6O5.C28H31FN6O4.C28H32N6O5/c1-17-6-7-22(24(39)35-17)38-25(40)20-4-2-5-21(23(20)26(38)41)33-14-18-15-34-37(16-18)19-8-12-36(13-9-19)27(42)28(10-3-11-28)29(30,31)32;1-18-6-7-23(25(37)33-18)36-26(38)21-4-2-5-22(24(21)27(36)39)31-14-19-15-32-35(16-19)20-8-12-34(13-9-20)28(40)29(17-30)10-3-11-29;1-18-7-8-23(25(36)32-18)35-26(37)21-5-3-6-22(24(21)27(35)38)30-15-19-16-31-34(17-19)20-9-13-33(14-10-20)28(39)29(40-2)11-4-12-29;1-17-6-7-22(24(36)32-17)35-25(37)20-4-2-5-21(23(20)26(35)38)30-14-18-15-31-34(16-18)19-8-12-33(13-9-19)27(39)28(29)10-3-11-28;1-17-6-7-22(24(35)31-17)34-25(36)20-4-2-5-21(23(20)26(34)37)29-14-18-15-30-33(16-18)19-8-12-32(13-9-19)27(38)28(39)10-3-11-28/h2,4-5,15-16,19,22,33H,1,3,6-14H2,(H,35,39);2,4-5,15-16,20,23,31H,1,3,6-14H2,(H,33,37);3,5-6,16-17,20,23,30H,1,4,7-15H2,2H3,(H,32,36);2,4-5,15-16,19,22,30H,1,3,6-14H2,(H,32,36);2,4-5,15-16,19,22,29,39H,1,3,6-14H2,(H,31,35).

What are the key properties of 4-[[1-[1-(1-fluorocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methoxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;1-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione?

4-[[1-[1-(1-fluorocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methoxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;1-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 2740.03 g/mol, XLogP of 14.04, 31 rotatable bonds, 11 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[1-[1-(1-fluorocyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-hydroxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;4-[[1-[1-(1-methoxycyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;1-[4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 159930969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).