5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(1-methylpiperazine);bis(3-methylpyridine-2-carbaldehyde)

C110H124Br2F9N15O12 — CID 161315662

About 5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(1-methylpiperazine);bis(3-methylpyridine-2-carbaldehyde)

5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(1-methylpiperazine);bis(3-methylpyridine-2-carbaldehyde) (PubChem CID 161315662) has the molecular formula C110H124Br2F9N15O12 and a molecular weight of 2179.08 g/mol. Its IUPAC name is 5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(1-methylpiperazine);bis(3-methylpyridine-2-carbaldehyde).

Molecular Properties

• Compound Name: 5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(1-methylpiperazine);bis(3-methylpyridine-2-carbaldehyde)
• PubChem CID: 161315662
• Molecular Formula: C110H124Br2F9N15O12
• Molecular Weight: 2179.08 g/mol
• Exact Mass: 2175.78
• IUPAC Name: 5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(1-methylpiperazine);bis(3-methylpyridine-2-carbaldehyde)
• SMILES: CN1CCNCC1.CN1CCNCC1.COc1cc2c(cc1Br)C/C(=C\c1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1Br)CCC2=O.COc1cc2c(cc1N1CCN(C)CC1)C/C(=C\c1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CCC2=O.Cc1cccnc1C=O.Cc1cccnc1C=O
• InChI: InChI=1S/C22H24F3N3O2.C22H22F3N3O2.C17H11BrF3NO2.C15H20N2O2.C10H9BrO2.2C7H7NO.2C5H12N2/c2*1-27-6-8-28(9-7-27)19-12-14-10-15(21(29)16(14)13-20(19)30-2)11-18-17(22(23,24)25)4-3-5-26-18;1-24-15-8-11-9(6-13(15)18)5-10(16(11)23)7-14-12(17(19,20)21)3-2-4-22-14;1-16-5-7-17(8-6-16)13-9-11-3-4-14(18)12(11)10-15(13)19-2;1-13-10-5-7-6(4-8(10)11)2-3-9(7)12;2*1-6-3-2-4-8-7(6)5-9;2*1-7-4-2-6-3-5-7/h3-5,12-13,15H,6-11H2,1-2H3;3-5,11-13H,6-10H2,1-2H3;2-4,6-8H,5H2,1H3;9-10H,3-8H2,1-2H3;4-5H,2-3H2,1H3;2*2-5H,1H3;2*6H,2-5H2,1H3/b;15-11+;10-7+
• InChIKey: VJLPKYRNCASXTK-RNLWBKRXSA-N
• XLogP: 17.45
• TPSA: 280.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 14
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2179.08
LogP ≤ 5	17.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(1-methylpiperazine);bis(3-methylpyridine-2-carbaldehyde)?

The IUPAC name of 5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(1-methylpiperazine);bis(3-methylpyridine-2-carbaldehyde) (CID 161315662) is 5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(1-methylpiperazine);bis(3-methylpyridine-2-carbaldehyde).

What is the SMILES notation for 5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(1-methylpiperazine);bis(3-methylpyridine-2-carbaldehyde)?

The canonical SMILES for 5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(1-methylpiperazine);bis(3-methylpyridine-2-carbaldehyde) is CN1CCNCC1.CN1CCNCC1.COc1cc2c(cc1Br)C/C(=C\c1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1Br)CCC2=O.COc1cc2c(cc1N1CCN(C)CC1)C/C(=C\c1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCN(C)CC1)CCC2=O.Cc1cccnc1C=O.Cc1cccnc1C=O.

What is the InChIKey of 5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(1-methylpiperazine);bis(3-methylpyridine-2-carbaldehyde)?

The InChIKey is VJLPKYRNCASXTK-RNLWBKRXSA-N. The full InChI is InChI=1S/C22H24F3N3O2.C22H22F3N3O2.C17H11BrF3NO2.C15H20N2O2.C10H9BrO2.2C7H7NO.2C5H12N2/c2*1-27-6-8-28(9-7-27)19-12-14-10-15(21(29)16(14)13-20(19)30-2)11-18-17(22(23,24)25)4-3-5-26-18;1-24-15-8-11-9(6-13(15)18)5-10(16(11)23)7-14-12(17(19,20)21)3-2-4-22-14;1-16-5-7-17(8-6-16)13-9-11-3-4-14(18)12(11)10-15(13)19-2;1-13-10-5-7-6(4-8(10)11)2-3-9(7)12;2*1-6-3-2-4-8-7(6)5-9;2*1-7-4-2-6-3-5-7/h3-5,12-13,15H,6-11H2,1-2H3;3-5,11-13H,6-10H2,1-2H3;2-4,6-8H,5H2,1H3;9-10H,3-8H2,1-2H3;4-5H,2-3H2,1H3;2*2-5H,1H3;2*6H,2-5H2,1H3/b;15-11+;10-7+;;;;;;.

What are the key properties of 5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(1-methylpiperazine);bis(3-methylpyridine-2-carbaldehyde)?

5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(1-methylpiperazine);bis(3-methylpyridine-2-carbaldehyde) has a molecular weight of 2179.08 g/mol, XLogP of 17.45, 14 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2,3-dihydroinden-1-one;6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-(4-methylpiperazin-1-yl)-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(1-methylpiperazine);bis(3-methylpyridine-2-carbaldehyde) is sourced from PubChem (CID 161315662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).