6-bromo-1H-benzo[cd]indol-2-one;2-bromo-3-fluoropyridine;3-bromopiperidine-2,6-dione;1-[1-(3-fluoro-2-pyridinyl)-4-methylpiperidin-4-yl]pyrazole-4-carbaldehyde;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(4-methylpiperidin-4-yl)pyrazole-4-carbaldehyde

C126H118Br3F5N26O11 — CID 167655590

About 6-bromo-1H-benzo[cd]indol-2-one;2-bromo-3-fluoropyridine;3-bromopiperidine-2,6-dione;1-[1-(3-fluoro-2-pyridinyl)-4-methylpiperidin-4-yl]pyrazole-4-carbaldehyde;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(4-methylpiperidin-4-yl)pyrazole-4-carbaldehyde

6-bromo-1H-benzo[cd]indol-2-one;2-bromo-3-fluoropyridine;3-bromopiperidine-2,6-dione;1-[1-(3-fluoro-2-pyridinyl)-4-methylpiperidin-4-yl]pyrazole-4-carbaldehyde;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(4-methylpiperidin-4-yl)pyrazole-4-carbaldehyde (PubChem CID 167655590) has the molecular formula C126H118Br3F5N26O11 and a molecular weight of 2507.20 g/mol. Its IUPAC name is 6-bromo-1H-benzo[cd]indol-2-one;2-bromo-3-fluoropyridine;3-bromopiperidine-2,6-dione;1-[1-(3-fluoro-2-pyridinyl)-4-methylpiperidin-4-yl]pyrazole-4-carbaldehyde;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(4-methylpiperidin-4-yl)pyrazole-4-carbaldehyde.

Molecular Properties

• Compound Name: 6-bromo-1H-benzo[cd]indol-2-one;2-bromo-3-fluoropyridine;3-bromopiperidine-2,6-dione;1-[1-(3-fluoro-2-pyridinyl)-4-methylpiperidin-4-yl]pyrazole-4-carbaldehyde;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(4-methylpiperidin-4-yl)pyrazole-4-carbaldehyde
• PubChem CID: 167655590
• Molecular Formula: C126H118Br3F5N26O11
• Molecular Weight: 2507.20 g/mol
• Exact Mass: 2502.69
• IUPAC Name: 6-bromo-1H-benzo[cd]indol-2-one;2-bromo-3-fluoropyridine;3-bromopiperidine-2,6-dione;1-[1-(3-fluoro-2-pyridinyl)-4-methylpiperidin-4-yl]pyrazole-4-carbaldehyde;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(4-methylpiperidin-4-yl)pyrazole-4-carbaldehyde
• SMILES: CC1(n2cc(C=O)cn2)CCN(c2ncccc2F)CC1.CC1(n2cc(C=O)cn2)CCNCC1.Fc1cccnc1Br.O=C1CCC(Br)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(c7ncccc7F)CC6)c5)ccc2c34)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23.O=C1Nc2ccc(C(O)c3cnn(C4CCN(c5ncccc5F)CC4)c3)c3cccc1c23.O=C1Nc2ccc(Cc3cnn(C4CCN(c5ncccc5F)CC4)c3)c3cccc1c23
• InChI: InChI=1S/C30H27FN6O3.C25H22FN5O2.C25H22FN5O.C15H17FN4O.C11H6BrNO.C10H15N3O.C5H3BrFN.C5H6BrNO2/c31-23-5-2-12-32-28(23)35-13-10-20(11-14-35)36-17-18(16-33-36)15-19-6-7-24-27-21(19)3-1-4-22(27)30(40)37(24)25-8-9-26(38)34-29(25)39;26-20-5-2-10-27-24(20)30-11-8-16(9-12-30)31-14-15(13-28-31)23(32)18-6-7-21-22-17(18)3-1-4-19(22)25(33)29-21;26-21-5-2-10-27-24(21)30-11-8-18(9-12-30)31-15-16(14-28-31)13-17-6-7-22-23-19(17)3-1-4-20(23)25(32)29-22;1-15(20-10-12(11-21)9-18-20)4-7-19(8-5-15)14-13(16)3-2-6-17-14;12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9;1-10(2-4-11-5-3-10)13-7-9(8-14)6-12-13;6-5-4(7)2-1-3-8-5;6-3-1-2-4(8)7-5(3)9/h1-7,12,16-17,20,25H,8-11,13-15H2,(H,34,38,39);1-7,10,13-14,16,23,32H,8-9,11-12H2,(H,29,33);1-7,10,14-15,18H,8-9,11-13H2,(H,29,32);2-3,6,9-11H,4-5,7-8H2,1H3;1-5H,(H,13,14);6-8,11H,2-5H2,1H3;1-3H;3H,1-2H2,(H,7,8,9)
• InChIKey: RFBKKSSXSGKDTA-UHFFFAOYSA-N
• XLogP: 20.77
• TPSA: 432.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2507.20
LogP ≤ 5	20.77
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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;2-bromo-3-fluoropyridine;3-bromopiperidine-2,6-dione;1-[1-(3-fluoro-2-pyridinyl)-4-methylpiperidin-4-yl]pyrazole-4-carbaldehyde;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(4-methylpiperidin-4-yl)pyrazole-4-carbaldehyde?

The IUPAC name of 6-bromo-1H-benzo[cd]indol-2-one;2-bromo-3-fluoropyridine;3-bromopiperidine-2,6-dione;1-[1-(3-fluoro-2-pyridinyl)-4-methylpiperidin-4-yl]pyrazole-4-carbaldehyde;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(4-methylpiperidin-4-yl)pyrazole-4-carbaldehyde (CID 167655590) is 6-bromo-1H-benzo[cd]indol-2-one;2-bromo-3-fluoropyridine;3-bromopiperidine-2,6-dione;1-[1-(3-fluoro-2-pyridinyl)-4-methylpiperidin-4-yl]pyrazole-4-carbaldehyde;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(4-methylpiperidin-4-yl)pyrazole-4-carbaldehyde.

What is the SMILES notation for 6-bromo-1H-benzo[cd]indol-2-one;2-bromo-3-fluoropyridine;3-bromopiperidine-2,6-dione;1-[1-(3-fluoro-2-pyridinyl)-4-methylpiperidin-4-yl]pyrazole-4-carbaldehyde;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(4-methylpiperidin-4-yl)pyrazole-4-carbaldehyde?

The canonical SMILES for 6-bromo-1H-benzo[cd]indol-2-one;2-bromo-3-fluoropyridine;3-bromopiperidine-2,6-dione;1-[1-(3-fluoro-2-pyridinyl)-4-methylpiperidin-4-yl]pyrazole-4-carbaldehyde;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(4-methylpiperidin-4-yl)pyrazole-4-carbaldehyde is CC1(n2cc(C=O)cn2)CCN(c2ncccc2F)CC1.CC1(n2cc(C=O)cn2)CCNCC1.Fc1cccnc1Br.O=C1CCC(Br)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn(C6CCN(c7ncccc7F)CC6)c5)ccc2c34)C(=O)N1.O=C1Nc2ccc(Br)c3cccc1c23.O=C1Nc2ccc(C(O)c3cnn(C4CCN(c5ncccc5F)CC4)c3)c3cccc1c23.O=C1Nc2ccc(Cc3cnn(C4CCN(c5ncccc5F)CC4)c3)c3cccc1c23.

What is the InChIKey of 6-bromo-1H-benzo[cd]indol-2-one;2-bromo-3-fluoropyridine;3-bromopiperidine-2,6-dione;1-[1-(3-fluoro-2-pyridinyl)-4-methylpiperidin-4-yl]pyrazole-4-carbaldehyde;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(4-methylpiperidin-4-yl)pyrazole-4-carbaldehyde?

The InChIKey is RFBKKSSXSGKDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FN6O3.C25H22FN5O2.C25H22FN5O.C15H17FN4O.C11H6BrNO.C10H15N3O.C5H3BrFN.C5H6BrNO2/c31-23-5-2-12-32-28(23)35-13-10-20(11-14-35)36-17-18(16-33-36)15-19-6-7-24-27-21(19)3-1-4-22(27)30(40)37(24)25-8-9-26(38)34-29(25)39;26-20-5-2-10-27-24(20)30-11-8-16(9-12-30)31-14-15(13-28-31)23(32)18-6-7-21-22-17(18)3-1-4-19(22)25(33)29-21;26-21-5-2-10-27-24(21)30-11-8-18(9-12-30)31-15-16(14-28-31)13-17-6-7-22-23-19(17)3-1-4-20(23)25(32)29-22;1-15(20-10-12(11-21)9-18-20)4-7-19(8-5-15)14-13(16)3-2-6-17-14;12-8-4-5-9-10-6(8)2-1-3-7(10)11(14)13-9;1-10(2-4-11-5-3-10)13-7-9(8-14)6-12-13;6-5-4(7)2-1-3-8-5;6-3-1-2-4(8)7-5(3)9/h1-7,12,16-17,20,25H,8-11,13-15H2,(H,34,38,39);1-7,10,13-14,16,23,32H,8-9,11-12H2,(H,29,33);1-7,10,14-15,18H,8-9,11-13H2,(H,29,32);2-3,6,9-11H,4-5,7-8H2,1H3;1-5H,(H,13,14);6-8,11H,2-5H2,1H3;1-3H;3H,1-2H2,(H,7,8,9).

What are the key properties of 6-bromo-1H-benzo[cd]indol-2-one;2-bromo-3-fluoropyridine;3-bromopiperidine-2,6-dione;1-[1-(3-fluoro-2-pyridinyl)-4-methylpiperidin-4-yl]pyrazole-4-carbaldehyde;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(4-methylpiperidin-4-yl)pyrazole-4-carbaldehyde?

6-bromo-1H-benzo[cd]indol-2-one;2-bromo-3-fluoropyridine;3-bromopiperidine-2,6-dione;1-[1-(3-fluoro-2-pyridinyl)-4-methylpiperidin-4-yl]pyrazole-4-carbaldehyde;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(4-methylpiperidin-4-yl)pyrazole-4-carbaldehyde has a molecular weight of 2507.20 g/mol, XLogP of 20.77, 18 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-1H-benzo[cd]indol-2-one;2-bromo-3-fluoropyridine;3-bromopiperidine-2,6-dione;1-[1-(3-fluoro-2-pyridinyl)-4-methylpiperidin-4-yl]pyrazole-4-carbaldehyde;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]-hydroxymethyl]-1H-benzo[cd]indol-2-one;6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-1H-benzo[cd]indol-2-one;3-[6-[[1-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-(4-methylpiperidin-4-yl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 167655590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).