6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[3-chloro-1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid

C143H157Br2Cl5N22O19 — CID 167578221

About 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[3-chloro-1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid

6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[3-chloro-1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid (PubChem CID 167578221) has the molecular formula C143H157Br2Cl5N22O19 and a molecular weight of 2825.04 g/mol. Its IUPAC name is 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[3-chloro-1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid.

Molecular Properties

• Compound Name: 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[3-chloro-1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid
• PubChem CID: 167578221
• Molecular Formula: C143H157Br2Cl5N22O19
• Molecular Weight: 2825.04 g/mol
• Exact Mass: 2818.88
• IUPAC Name: 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[3-chloro-1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CCC(C)(n2cc(C(O)c3ccc4c5c(cccc35)C(=O)N4)c(Cl)n2)CC1.CC(C)(C)OC(=O)N1CCC(C)(n2cc(C=O)c(Cl)n2)CC1.CC1(C(=O)N2CCC(C)(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5)c(Cl)n3)CC2)CCC1.CC1(C(=O)N2CCC(C)(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)c(Cl)n3)CC2)CCC1.CC1(C(=O)O)CCC1.CC1(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)c(Cl)n2)CCNCC1.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23
• InChI: InChI=1S/C32H34ClN5O4.C27H29ClN4O2.C26H29ClN4O4.C21H21ClN4O.C15H22ClN3O3.C11H6BrNO.C6H10O2.C5H6BrNO2/c1-31(11-4-12-31)30(42)36-15-13-32(2,14-16-36)37-18-20(27(33)35-37)17-19-7-8-23-26-21(19)5-3-6-22(26)29(41)38(23)24-9-10-25(39)34-28(24)40;1-26(9-4-10-26)25(34)31-13-11-27(2,12-14-31)32-16-18(23(28)30-32)15-17-7-8-21-22-19(17)5-3-6-20(22)24(33)29-21;1-25(2,3)35-24(34)30-12-10-26(4,11-13-30)31-14-18(22(27)29-31)21(32)16-8-9-19-20-15(16)6-5-7-17(20)23(33)28-19;1-21(7-9-23-10-8-21)26-12-14(19(22)25-26)11-13-5-6-17-18-15(13)3-2-4-16(18)20(27)24-17;1-14(2,3)22-13(21)18-7-5-15(4,6-8-18)19-9-11(10-20)12(16)17-19;12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9;1-6(5(7)8)3-2-4-6;6-3-1-2-4(8)7-5(3)9/h3,5-8,18,24H,4,9-17H2,1-2H3,(H,34,39,40);3,5-8,16H,4,9-15H2,1-2H3,(H,29,33);5-9,14,21,32H,10-13H2,1-4H3,(H,28,33);2-6,12,23H,7-11H2,1H3,(H,24,27);9-10H,5-8H2,1-4H3;1-5H,(H,13,14);2-4H2,1H3,(H,7,8);3H,1-2H2,(H,7,8,9)
• InChIKey: GUYGNULIUAYPJK-UHFFFAOYSA-N
• XLogP: 26.69
• TPSA: 504.48 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2825.04
LogP ≤ 5	26.69
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[3-chloro-1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid?

The IUPAC name of 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[3-chloro-1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid (CID 167578221) is 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[3-chloro-1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid.

What is the SMILES notation for 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[3-chloro-1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid?

The canonical SMILES for 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[3-chloro-1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid is CC(C)(C)OC(=O)N1CCC(C)(n2cc(C(O)c3ccc4c5c(cccc35)C(=O)N4)c(Cl)n2)CC1.CC(C)(C)OC(=O)N1CCC(C)(n2cc(C=O)c(Cl)n2)CC1.CC1(C(=O)N2CCC(C)(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5)c(Cl)n3)CC2)CCC1.CC1(C(=O)N2CCC(C)(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)c(Cl)n3)CC2)CCC1.CC1(C(=O)O)CCC1.CC1(n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)c(Cl)n2)CCNCC1.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23.

What is the InChIKey of 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[3-chloro-1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid?

The InChIKey is GUYGNULIUAYPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClN5O4.C27H29ClN4O2.C26H29ClN4O4.C21H21ClN4O.C15H22ClN3O3.C11H6BrNO.C6H10O2.C5H6BrNO2/c1-31(11-4-12-31)30(42)36-15-13-32(2,14-16-36)37-18-20(27(33)35-37)17-19-7-8-23-26-21(19)5-3-6-22(26)29(41)38(23)24-9-10-25(39)34-28(24)40;1-26(9-4-10-26)25(34)31-13-11-27(2,12-14-31)32-16-18(23(28)30-32)15-17-7-8-21-22-19(17)5-3-6-20(22)24(33)29-21;1-25(2,3)35-24(34)30-12-10-26(4,11-13-30)31-14-18(22(27)29-31)21(32)16-8-9-19-20-15(16)6-5-7-17(20)23(33)28-19;1-21(7-9-23-10-8-21)26-12-14(19(22)25-26)11-13-5-6-17-18-15(13)3-2-4-16(18)20(27)24-17;1-14(2,3)22-13(21)18-7-5-15(4,6-8-18)19-9-11(10-20)12(16)17-19;12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9;1-6(5(7)8)3-2-4-6;6-3-1-2-4(8)7-5(3)9/h3,5-8,18,24H,4,9-17H2,1-2H3,(H,34,39,40);3,5-8,16H,4,9-15H2,1-2H3,(H,29,33);5-9,14,21,32H,10-13H2,1-4H3,(H,28,33);2-6,12,23H,7-11H2,1H3,(H,24,27);9-10H,5-8H2,1-4H3;1-5H,(H,13,14);2-4H2,1H3,(H,7,8);3H,1-2H2,(H,7,8,9).

What are the key properties of 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[3-chloro-1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid?

6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[3-chloro-1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid has a molecular weight of 2825.04 g/mol, XLogP of 26.69, 18 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-chloro-4-formylpyrazol-1-yl)-4-methylpiperidine-1-carboxylate;tert-butyl 4-[3-chloro-4-[hydroxy-(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]-4-methylpiperidine-1-carboxylate;6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[3-chloro-1-[4-methyl-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;6-[[3-chloro-1-(4-methylpiperidin-4-yl)pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 167578221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).