3-bromopiperidine-2,6-dione;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[2-oxo-6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;(3-phenylmethoxycyclobutyl) methanesulfonate;6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-(1H-pyrazol-4-ylmethyl)-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C160H165B2BrClN19O23S — CID 167657210

About 3-bromopiperidine-2,6-dione;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[2-oxo-6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;(3-phenylmethoxycyclobutyl) methanesulfonate;6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-(1H-pyrazol-4-ylmethyl)-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

3-bromopiperidine-2,6-dione;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[2-oxo-6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;(3-phenylmethoxycyclobutyl) methanesulfonate;6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-(1H-pyrazol-4-ylmethyl)-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 167657210) has the molecular formula C160H165B2BrClN19O23S and a molecular weight of 2891.24 g/mol. Its IUPAC name is 3-bromopiperidine-2,6-dione;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[2-oxo-6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;(3-phenylmethoxycyclobutyl) methanesulfonate;6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-(1H-pyrazol-4-ylmethyl)-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

• Compound Name: 3-bromopiperidine-2,6-dione;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[2-oxo-6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;(3-phenylmethoxycyclobutyl) methanesulfonate;6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-(1H-pyrazol-4-ylmethyl)-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• PubChem CID: 167657210
• Molecular Formula: C160H165B2BrClN19O23S
• Molecular Weight: 2891.24 g/mol
• Exact Mass: 2888.11
• IUPAC Name: 3-bromopiperidine-2,6-dione;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[2-oxo-6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;(3-phenylmethoxycyclobutyl) methanesulfonate;6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-(1H-pyrazol-4-ylmethyl)-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
• SMILES: CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC1(C)OB(c2cnn(C3CCCCO3)c2)OC1(C)C.COc1ccc(CN2C(=O)c3cccc4c(CCl)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cnn(C6CCCCO6)c5)ccc2c34)cc1.CS(=O)(=O)OC1CC(OCc2ccccc2)C1.O=C1CCC(Br)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CC(OCc7ccccc7)C6)c5)ccc2c34)C(=O)N1.O=C1Nc2ccc(Cc3cn[nH]c3)c3cccc1c23.O=C1Nc2ccc(Cc3cnn(C4CC(OCc5ccccc5)C4)c3)c3cccc1c23
• InChI: InChI=1S/C31H28N4O4.C28H27N3O3.C26H23N3O2.C20H16ClNO2.C15H11N3O.C14H23BN2O3.C12H16O4S.C9H15BN2O2.C5H6BrNO2/c36-28-12-11-27(30(37)33-28)35-26-10-9-21(24-7-4-8-25(29(24)26)31(35)38)13-20-16-32-34(17-20)22-14-23(15-22)39-18-19-5-2-1-3-6-19;1-33-22-11-8-19(9-12-22)17-30-25-13-10-21(23-5-4-6-24(27(23)25)28(30)32)15-20-16-29-31(18-20)26-7-2-3-14-34-26;30-26-23-8-4-7-22-19(9-10-24(28-26)25(22)23)11-18-14-27-29(15-18)20-12-21(13-20)31-16-17-5-2-1-3-6-17;1-24-15-8-5-13(6-9-15)12-22-18-10-7-14(11-21)16-3-2-4-17(19(16)18)20(22)23;19-15-12-3-1-2-11-10(6-9-7-16-17-8-9)4-5-13(18-15)14(11)12;1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-7-5-6-8-18-12;1-17(13,14)16-12-7-11(8-12)15-9-10-5-3-2-4-6-10;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;6-3-1-2-4(8)7-5(3)9/h1-10,16-17,22-23,27H,11-15,18H2,(H,33,36,37);4-6,8-13,16,18,26H,2-3,7,14-15,17H2,1H3;1-10,14-15,20-21H,11-13,16H2,(H,28,30);2-10H,11-12H2,1H3;1-5,7-8H,6H2,(H,16,17)(H,18,19);9-10,12H,5-8H2,1-4H3;2-6,11-12H,7-9H2,1H3;5-6H,1-4H3,(H,11,12);3H,1-2H2,(H,7,8,9)
• InChIKey: RKUAIWXZSRQWIB-UHFFFAOYSA-N
• XLogP: 26.88
• TPSA: 485.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 33
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2891.24
LogP ≤ 5	26.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromopiperidine-2,6-dione;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[2-oxo-6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;(3-phenylmethoxycyclobutyl) methanesulfonate;6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-(1H-pyrazol-4-ylmethyl)-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The IUPAC name of 3-bromopiperidine-2,6-dione;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[2-oxo-6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;(3-phenylmethoxycyclobutyl) methanesulfonate;6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-(1H-pyrazol-4-ylmethyl)-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 167657210) is 3-bromopiperidine-2,6-dione;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[2-oxo-6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;(3-phenylmethoxycyclobutyl) methanesulfonate;6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-(1H-pyrazol-4-ylmethyl)-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

What is the SMILES notation for 3-bromopiperidine-2,6-dione;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[2-oxo-6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;(3-phenylmethoxycyclobutyl) methanesulfonate;6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-(1H-pyrazol-4-ylmethyl)-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The canonical SMILES for 3-bromopiperidine-2,6-dione;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[2-oxo-6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;(3-phenylmethoxycyclobutyl) methanesulfonate;6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-(1H-pyrazol-4-ylmethyl)-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is CC1(C)OB(c2cn[nH]c2)OC1(C)C.CC1(C)OB(c2cnn(C3CCCCO3)c2)OC1(C)C.COc1ccc(CN2C(=O)c3cccc4c(CCl)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Cc5cnn(C6CCCCO6)c5)ccc2c34)cc1.CS(=O)(=O)OC1CC(OCc2ccccc2)C1.O=C1CCC(Br)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CC(OCc7ccccc7)C6)c5)ccc2c34)C(=O)N1.O=C1Nc2ccc(Cc3cn[nH]c3)c3cccc1c23.O=C1Nc2ccc(Cc3cnn(C4CC(OCc5ccccc5)C4)c3)c3cccc1c23.

What is the InChIKey of 3-bromopiperidine-2,6-dione;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[2-oxo-6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;(3-phenylmethoxycyclobutyl) methanesulfonate;6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-(1H-pyrazol-4-ylmethyl)-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

The InChIKey is RKUAIWXZSRQWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O4.C28H27N3O3.C26H23N3O2.C20H16ClNO2.C15H11N3O.C14H23BN2O3.C12H16O4S.C9H15BN2O2.C5H6BrNO2/c36-28-12-11-27(30(37)33-28)35-26-10-9-21(24-7-4-8-25(29(24)26)31(35)38)13-20-16-32-34(17-20)22-14-23(15-22)39-18-19-5-2-1-3-6-19;1-33-22-11-8-19(9-12-22)17-30-25-13-10-21(23-5-4-6-24(27(23)25)28(30)32)15-20-16-29-31(18-20)26-7-2-3-14-34-26;30-26-23-8-4-7-22-19(9-10-24(28-26)25(22)23)11-18-14-27-29(15-18)20-12-21(13-20)31-16-17-5-2-1-3-6-17;1-24-15-8-5-13(6-9-15)12-22-18-10-7-14(11-21)16-3-2-4-17(19(16)18)20(22)23;19-15-12-3-1-2-11-10(6-9-7-16-17-8-9)4-5-13(18-15)14(11)12;1-13(2)14(3,4)20-15(19-13)11-9-16-17(10-11)12-7-5-6-8-18-12;1-17(13,14)16-12-7-11(8-12)15-9-10-5-3-2-4-6-10;1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;6-3-1-2-4(8)7-5(3)9/h1-10,16-17,22-23,27H,11-15,18H2,(H,33,36,37);4-6,8-13,16,18,26H,2-3,7,14-15,17H2,1H3;1-10,14-15,20-21H,11-13,16H2,(H,28,30);2-10H,11-12H2,1H3;1-5,7-8H,6H2,(H,16,17)(H,18,19);9-10,12H,5-8H2,1-4H3;2-6,11-12H,7-9H2,1H3;5-6H,1-4H3,(H,11,12);3H,1-2H2,(H,7,8,9).

What are the key properties of 3-bromopiperidine-2,6-dione;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[2-oxo-6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;(3-phenylmethoxycyclobutyl) methanesulfonate;6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-(1H-pyrazol-4-ylmethyl)-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?

3-bromopiperidine-2,6-dione;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[2-oxo-6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;(3-phenylmethoxycyclobutyl) methanesulfonate;6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-(1H-pyrazol-4-ylmethyl)-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 2891.24 g/mol, XLogP of 26.88, 33 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromopiperidine-2,6-dione;6-(chloromethyl)-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;1-[(4-methoxyphenyl)methyl]-6-[[1-(oxan-2-yl)pyrazol-4-yl]methyl]benzo[cd]indol-2-one;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[2-oxo-6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]benzo[cd]indol-1-yl]piperidine-2,6-dione;(3-phenylmethoxycyclobutyl) methanesulfonate;6-[[1-(3-phenylmethoxycyclobutyl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;6-(1H-pyrazol-4-ylmethyl)-1H-benzo[cd]indol-2-one;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 167657210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).