6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-formylpyrrolo[2,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine-3-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-ylpyrrolo[2,3-c]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde;hydrochloride

C151H171Br2ClN22O22S — CID 167669061

About 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-formylpyrrolo[2,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine-3-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-ylpyrrolo[2,3-c]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde;hydrochloride

6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-formylpyrrolo[2,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine-3-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-ylpyrrolo[2,3-c]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde;hydrochloride (PubChem CID 167669061) has the molecular formula C151H171Br2ClN22O22S and a molecular weight of 2873.49 g/mol. Its IUPAC name is 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-formylpyrrolo[2,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine-3-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-ylpyrrolo[2,3-c]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde;hydrochloride.

Molecular Properties

• Compound Name: 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-formylpyrrolo[2,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine-3-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-ylpyrrolo[2,3-c]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde;hydrochloride
• PubChem CID: 167669061
• Molecular Formula: C151H171Br2ClN22O22S
• Molecular Weight: 2873.49 g/mol
• Exact Mass: 2869.07
• IUPAC Name: 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-formylpyrrolo[2,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine-3-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-ylpyrrolo[2,3-c]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(OS(C)(=O)=O)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(C=O)c3ccncc32)CC1.CC1(C(=O)N2CCC(n3cc(C(O)c4ccc5c6c(cccc46)C(=O)N5)c4ccncc43)CC2)CCC1.CC1(C(=O)N2CCC(n3cc(C=O)c4ccncc43)CC2)CCC1.CC1(C(=O)N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5)c4ccncc43)CC2)CCC1.CC1(C(=O)O)CCC1.Cl.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23.O=Cc1c[nH]c2cnccc12.O=Cc1cn(C2CCNCC2)c2cnccc12
• InChI: InChI=1S/C30H30N4O3.C30H30N4O2.C19H23N3O2.C18H23N3O3.C13H15N3O.C11H6BrNO.C11H21NO5S.C8H6N2O.C6H10O2.C5H6BrNO2.ClH/c1-30(11-3-12-30)29(37)33-14-9-18(10-15-33)34-17-23(19-8-13-31-16-25(19)34)27(35)21-6-7-24-26-20(21)4-2-5-22(26)28(36)32-24;1-30(11-3-12-30)29(36)33-14-9-21(10-15-33)34-18-20(22-8-13-31-17-26(22)34)16-19-6-7-25-27-23(19)4-2-5-24(27)28(35)32-25;1-19(6-2-7-19)18(24)21-9-4-15(5-10-21)22-12-14(13-23)16-3-8-20-11-17(16)22;1-18(2,3)24-17(23)20-8-5-14(6-9-20)21-11-13(12-22)15-4-7-19-10-16(15)21;17-9-10-8-16(11-1-4-14-5-2-11)13-7-15-6-3-12(10)13;12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9;1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15;11-5-6-3-10-8-4-9-2-1-7(6)8;1-6(5(7)8)3-2-4-6;6-3-1-2-4(8)7-5(3)9;/h2,4-8,13,16-18,27,35H,3,9-12,14-15H2,1H3,(H,32,36);2,4-8,13,17-18,21H,3,9-12,14-16H2,1H3,(H,32,35);3,8,11-13,15H,2,4-7,9-10H2,1H3;4,7,10-12,14H,5-6,8-9H2,1-3H3;3,6-9,11,14H,1-2,4-5H2;1-5H,(H,13,14);9H,5-8H2,1-4H3;1-5,10H;2-4H2,1H3,(H,7,8);3H,1-2H2,(H,7,8,9);1H
• InChIKey: BNEINBWMOFXOJY-UHFFFAOYSA-N
• XLogP: 27.06
• TPSA: 552.47 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 19
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2873.49
LogP ≤ 5	27.06
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-formylpyrrolo[2,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine-3-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-ylpyrrolo[2,3-c]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde;hydrochloride?

The IUPAC name of 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-formylpyrrolo[2,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine-3-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-ylpyrrolo[2,3-c]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde;hydrochloride (CID 167669061) is 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-formylpyrrolo[2,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine-3-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-ylpyrrolo[2,3-c]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde;hydrochloride.

What is the SMILES notation for 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-formylpyrrolo[2,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine-3-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-ylpyrrolo[2,3-c]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde;hydrochloride?

The canonical SMILES for 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-formylpyrrolo[2,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine-3-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-ylpyrrolo[2,3-c]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde;hydrochloride is CC(C)(C)OC(=O)N1CCC(OS(C)(=O)=O)CC1.CC(C)(C)OC(=O)N1CCC(n2cc(C=O)c3ccncc32)CC1.CC1(C(=O)N2CCC(n3cc(C(O)c4ccc5c6c(cccc46)C(=O)N5)c4ccncc43)CC2)CCC1.CC1(C(=O)N2CCC(n3cc(C=O)c4ccncc43)CC2)CCC1.CC1(C(=O)N2CCC(n3cc(Cc4ccc5c6c(cccc46)C(=O)N5)c4ccncc43)CC2)CCC1.CC1(C(=O)O)CCC1.Cl.O=C1CCC(Br)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23.O=Cc1c[nH]c2cnccc12.O=Cc1cn(C2CCNCC2)c2cnccc12.

What is the InChIKey of 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-formylpyrrolo[2,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine-3-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-ylpyrrolo[2,3-c]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde;hydrochloride?

The InChIKey is BNEINBWMOFXOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3.C30H30N4O2.C19H23N3O2.C18H23N3O3.C13H15N3O.C11H6BrNO.C11H21NO5S.C8H6N2O.C6H10O2.C5H6BrNO2.ClH/c1-30(11-3-12-30)29(37)33-14-9-18(10-15-33)34-17-23(19-8-13-31-16-25(19)34)27(35)21-6-7-24-26-20(21)4-2-5-22(26)28(36)32-24;1-30(11-3-12-30)29(36)33-14-9-21(10-15-33)34-18-20(22-8-13-31-17-26(22)34)16-19-6-7-25-27-23(19)4-2-5-24(27)28(35)32-25;1-19(6-2-7-19)18(24)21-9-4-15(5-10-21)22-12-14(13-23)16-3-8-20-11-17(16)22;1-18(2,3)24-17(23)20-8-5-14(6-9-20)21-11-13(12-22)15-4-7-19-10-16(15)21;17-9-10-8-16(11-1-4-14-5-2-11)13-7-15-6-3-12(10)13;12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9;1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15;11-5-6-3-10-8-4-9-2-1-7(6)8;1-6(5(7)8)3-2-4-6;6-3-1-2-4(8)7-5(3)9;/h2,4-8,13,16-18,27,35H,3,9-12,14-15H2,1H3,(H,32,36);2,4-8,13,17-18,21H,3,9-12,14-16H2,1H3,(H,32,35);3,8,11-13,15H,2,4-7,9-10H2,1H3;4,7,10-12,14H,5-6,8-9H2,1-3H3;3,6-9,11,14H,1-2,4-5H2;1-5H,(H,13,14);9H,5-8H2,1-4H3;1-5,10H;2-4H2,1H3,(H,7,8);3H,1-2H2,(H,7,8,9);1H.

What are the key properties of 6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-formylpyrrolo[2,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine-3-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-ylpyrrolo[2,3-c]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde;hydrochloride?

6-bromo-1H-benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;tert-butyl 4-(3-formylpyrrolo[2,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine-3-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-ylpyrrolo[2,3-c]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde;hydrochloride has a molecular weight of 2873.49 g/mol, XLogP of 27.06, 19 rotatable bonds, 8 hydrogen bond donors, and 33 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-formylpyrrolo[2,3-c]pyridin-1-yl)piperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate;6-[hydroxy-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridine-3-carbaldehyde;6-[[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrrolo[2,3-c]pyridin-3-yl]methyl]-1H-benzo[cd]indol-2-one;1-methylcyclobutane-1-carboxylic acid;1-piperidin-4-ylpyrrolo[2,3-c]pyridine-3-carbaldehyde;1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde;hydrochloride is sourced from PubChem (CID 167669061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).