3-[6-[[1-[1-[1-(dimethylamino)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(dimethylamino)cyclobutane-1-carboxylic acid;3-[2-oxo-6-[(1-piperidin-4-ylpyrazol-4-yl)methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;hydrochloride

C64H75ClN12O9 — CID 167683552

About 3-[6-[[1-[1-[1-(dimethylamino)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(dimethylamino)cyclobutane-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-[1-(dimethylamino)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(dimethylamino)cyclobutane-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 167683552) has the molecular formula C64H75ClN12O9 and a molecular weight of 1191.83 g/mol. Its IUPAC name is 3-[6-[[1-[1-[1-(dimethylamino)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(dimethylamino)cyclobutane-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-[1-(dimethylamino)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(dimethylamino)cyclobutane-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: 167683552
• Molecular Formula: C64H75ClN12O9
• Molecular Weight: 1191.83 g/mol
• Exact Mass: 1190.55
• IUPAC Name: 3-[6-[[1-[1-[1-(dimethylamino)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(dimethylamino)cyclobutane-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: CN(C)C1(C(=O)N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)CCC1.CN(C)C1(C(=O)O)CCC1.Cl.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCNCC6)c5)ccc2c34)C(=O)N1
• InChI: InChI=1S/C32H36N6O4.C25H25N5O3.C7H13NO2.ClH/c1-35(2)32(13-4-14-32)31(42)36-15-11-22(12-16-36)37-19-20(18-33-37)17-21-7-8-25-28-23(21)5-3-6-24(28)30(41)38(25)26-9-10-27(39)34-29(26)40;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;1-8(2)7(6(9)10)4-3-5-7;/h3,5-8,18-19,22,26H,4,9-17H2,1-2H3,(H,34,39,40);1-5,13-14,17,21,26H,6-12H2,(H,28,31,32);3-5H2,1-2H3,(H,9,10);1H
• InChIKey: AIBILZYZGSJOGC-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 244.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1191.83
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1-[1-[1-(dimethylamino)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(dimethylamino)cyclobutane-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-[1-(dimethylamino)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(dimethylamino)cyclobutane-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 167683552) is 3-[6-[[1-[1-[1-(dimethylamino)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(dimethylamino)cyclobutane-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-[1-(dimethylamino)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(dimethylamino)cyclobutane-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-[1-(dimethylamino)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(dimethylamino)cyclobutane-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 CN(C)C1(C(=O)N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)CCC1.CN(C)C1(C(=O)O)CCC1.Cl.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCNCC6)c5)ccc2c34)C(=O)N1.

What is the InChIKey of 3-[6-[[1-[1-[1-(dimethylamino)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(dimethylamino)cyclobutane-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 AIBILZYZGSJOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O4.C25H25N5O3.C7H13NO2.ClH/c1-35(2)32(13-4-14-32)31(42)36-15-11-22(12-16-36)37-19-20(18-33-37)17-21-7-8-25-28-23(21)5-3-6-24(28)30(41)38(25)26-9-10-27(39)34-29(26)40;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;1-8(2)7(6(9)10)4-3-5-7;/h3,5-8,18-19,22,26H,4,9-17H2,1-2H3,(H,34,39,40);1-5,13-14,17,21,26H,6-12H2,(H,28,31,32);3-5H2,1-2H3,(H,9,10);1H.

What are the key properties of 3-[6-[[1-[1-[1-(dimethylamino)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(dimethylamino)cyclobutane-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-[1-(dimethylamino)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(dimethylamino)cyclobutane-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 1191.83 g/mol, XLogP of 6.33, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[1-[1-[1-(dimethylamino)cyclobutanecarbonyl]piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(dimethylamino)cyclobutane-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 167683552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).