3-[6-[[1-[1-(3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;tert-butyl 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate;3-[6-[[1-[1-(3-methyl-3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride

C139H157ClN24O21 — CID 167602570

About 3-[6-[[1-[1-(3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;tert-butyl 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate;3-[6-[[1-[1-(3-methyl-3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride

3-[6-[[1-[1-(3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;tert-butyl 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate;3-[6-[[1-[1-(3-methyl-3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride (PubChem CID 167602570) has the molecular formula C139H157ClN24O21 and a molecular weight of 2535.38 g/mol. Its IUPAC name is 3-[6-[[1-[1-(3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;tert-butyl 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate;3-[6-[[1-[1-(3-methyl-3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride.

Molecular Properties

• Compound Name: 3-[6-[[1-[1-(3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;tert-butyl 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate;3-[6-[[1-[1-(3-methyl-3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride
• PubChem CID: 167602570
• Molecular Formula: C139H157ClN24O21
• Molecular Weight: 2535.38 g/mol
• Exact Mass: 2533.16
• IUPAC Name: 3-[6-[[1-[1-(3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;tert-butyl 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate;3-[6-[[1-[1-(3-methyl-3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CC2CC(C(=O)N3CCC(n4cc(Cc5ccc6c7c(cccc57)C(=O)N6C5CCC(=O)NC5=O)cn4)CC3)(C2)C1.CC(C)(C)OC(=O)N1CC2CC(C(=O)O)(C2)C1.CN1CC2CC(C(=O)N3CCC(n4cc(Cc5ccc6c7c(cccc57)C(=O)N6C5CCC(=O)NC5=O)cn4)CC3)(C2)C1.Cl.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)C78CNCC(C7)C8)CC6)c5)ccc2c34)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCNCC6)c5)ccc2c34)C(=O)N1
• InChI: InChI=1S/C37H42N6O6.C33H36N6O4.C32H34N6O4.C25H25N5O3.C12H19NO4.ClH/c1-36(2,3)49-35(48)41-19-23-16-37(17-23,21-41)34(47)40-13-11-25(12-14-40)42-20-22(18-38-42)15-24-7-8-28-31-26(24)5-4-6-27(31)33(46)43(28)29-9-10-30(44)39-32(29)45;1-36-17-21-14-33(15-21,19-36)32(43)37-11-9-23(10-12-37)38-18-20(16-34-38)13-22-5-6-26-29-24(22)3-2-4-25(29)31(42)39(26)27-7-8-28(40)35-30(27)41;39-27-7-6-26(29(40)35-27)38-25-5-4-21(23-2-1-3-24(28(23)25)30(38)41)12-19-16-34-37(17-19)22-8-10-36(11-9-22)31(42)32-13-20(14-32)15-33-18-32;31-22-7-6-21(24(32)28-22)30-20-5-4-16(18-2-1-3-19(23(18)20)25(30)33)12-15-13-27-29(14-15)17-8-10-26-11-9-17;1-11(2,3)17-10(16)13-6-8-4-12(5-8,7-13)9(14)15;/h4-8,18,20,23,25,29H,9-17,19,21H2,1-3H3,(H,39,44,45);2-6,16,18,21,23,27H,7-15,17,19H2,1H3,(H,35,40,41);1-5,16-17,20,22,26,33H,6-15,18H2,(H,35,39,40);1-5,13-14,17,21,26H,6-12H2,(H,28,31,32);8H,4-7H2,1-3H3,(H,14,15);1H
• InChIKey: FRIJDEIVXGVZOM-UHFFFAOYSA-N
• XLogP: 14.11
• TPSA: 521.81 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2535.38
LogP ≤ 5	14.11
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1-[1-(3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;tert-butyl 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate;3-[6-[[1-[1-(3-methyl-3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride?

The IUPAC name of 3-[6-[[1-[1-(3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;tert-butyl 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate;3-[6-[[1-[1-(3-methyl-3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride (CID 167602570) is 3-[6-[[1-[1-(3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;tert-butyl 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate;3-[6-[[1-[1-(3-methyl-3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride.

What is the SMILES notation for 3-[6-[[1-[1-(3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;tert-butyl 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate;3-[6-[[1-[1-(3-methyl-3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride?

The canonical SMILES for 3-[6-[[1-[1-(3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;tert-butyl 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate;3-[6-[[1-[1-(3-methyl-3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride is CC(C)(C)OC(=O)N1CC2CC(C(=O)N3CCC(n4cc(Cc5ccc6c7c(cccc57)C(=O)N6C5CCC(=O)NC5=O)cn4)CC3)(C2)C1.CC(C)(C)OC(=O)N1CC2CC(C(=O)O)(C2)C1.CN1CC2CC(C(=O)N3CCC(n4cc(Cc5ccc6c7c(cccc57)C(=O)N6C5CCC(=O)NC5=O)cn4)CC3)(C2)C1.Cl.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(C(=O)C78CNCC(C7)C8)CC6)c5)ccc2c34)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCNCC6)c5)ccc2c34)C(=O)N1.

What is the InChIKey of 3-[6-[[1-[1-(3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;tert-butyl 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate;3-[6-[[1-[1-(3-methyl-3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride?

The InChIKey is FRIJDEIVXGVZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H42N6O6.C33H36N6O4.C32H34N6O4.C25H25N5O3.C12H19NO4.ClH/c1-36(2,3)49-35(48)41-19-23-16-37(17-23,21-41)34(47)40-13-11-25(12-14-40)42-20-22(18-38-42)15-24-7-8-28-31-26(24)5-4-6-27(31)33(46)43(28)29-9-10-30(44)39-32(29)45;1-36-17-21-14-33(15-21,19-36)32(43)37-11-9-23(10-12-37)38-18-20(16-34-38)13-22-5-6-26-29-24(22)3-2-4-25(29)31(42)39(26)27-7-8-28(40)35-30(27)41;39-27-7-6-26(29(40)35-27)38-25-5-4-21(23-2-1-3-24(28(23)25)30(38)41)12-19-16-34-37(17-19)22-8-10-36(11-9-22)31(42)32-13-20(14-32)15-33-18-32;31-22-7-6-21(24(32)28-22)30-20-5-4-16(18-2-1-3-19(23(18)20)25(30)33)12-15-13-27-29(14-15)17-8-10-26-11-9-17;1-11(2,3)17-10(16)13-6-8-4-12(5-8,7-13)9(14)15;/h4-8,18,20,23,25,29H,9-17,19,21H2,1-3H3,(H,39,44,45);2-6,16,18,21,23,27H,7-15,17,19H2,1H3,(H,35,40,41);1-5,16-17,20,22,26,33H,6-15,18H2,(H,35,39,40);1-5,13-14,17,21,26H,6-12H2,(H,28,31,32);8H,4-7H2,1-3H3,(H,14,15);1H.

What are the key properties of 3-[6-[[1-[1-(3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;tert-butyl 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate;3-[6-[[1-[1-(3-methyl-3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride?

3-[6-[[1-[1-(3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;tert-butyl 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate;3-[6-[[1-[1-(3-methyl-3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride has a molecular weight of 2535.38 g/mol, XLogP of 14.11, 20 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[1-[1-(3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;tert-butyl 1-[4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]piperidine-1-carbonyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate;3-[6-[[1-[1-(3-methyl-3-azabicyclo[3.1.1]heptane-1-carbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.1]heptane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 167602570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).