5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(tert-butyl piperazine-1-carboxylate);methane;6-methoxy-5-piperazin-1-yl-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(3-methylpyridine-2-carbaldehyde);piperazine

C125H158Br2F9N19O16 — CID 159903971

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;bis(tert-butyl piperazine-1-carboxylate);methane;6-methoxy-5-piperazin-1-yl-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(3-methylpyridine-2-carbaldehyde);piperazine

5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(tert-butyl piperazine-1-carboxylate);methane;6-methoxy-5-piperazin-1-yl-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(3-methylpyridine-2-carbaldehyde);piperazine (PubChem CID 159903971) has the molecular formula C125H158Br2F9N19O16 and a molecular weight of 2513.55 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;bis(tert-butyl piperazine-1-carboxylate);methane;6-methoxy-5-piperazin-1-yl-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(3-methylpyridine-2-carbaldehyde);piperazine.

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;bis(tert-butyl piperazine-1-carboxylate);methane;6-methoxy-5-piperazin-1-yl-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(3-methylpyridine-2-carbaldehyde);piperazine
• PubChem CID: 159903971
• Molecular Formula: C125H158Br2F9N19O16
• Molecular Weight: 2513.55 g/mol
• Exact Mass: 2510.04
• 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;bis(tert-butyl piperazine-1-carboxylate);methane;6-methoxy-5-piperazin-1-yl-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(3-methylpyridine-2-carbaldehyde);piperazine
• SMILES: C.C.C1CNCCN1.C1CNCCN1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)N1CCNCC1.COc1cc2c(cc1Br)C/C(=C\c1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1Br)CCC2=O.COc1cc2c(cc1N1CCNCC1)C/C(=C\c1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCNCC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCNCC1)CCC2=O.Cc1cccnc1C=O.Cc1cccnc1C=O
• InChI: InChI=1S/C21H22F3N3O2.C21H20F3N3O2.C17H11BrF3NO2.C14H18N2O2.C10H9BrO2.2C9H18N2O2.2C7H7NO.2C4H10N2.2CH4/c2*1-29-19-12-15-13(11-18(19)27-7-5-25-6-8-27)9-14(20(15)28)10-17-16(21(22,23)24)3-2-4-26-17;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;1-18-14-9-11-10(2-3-13(11)17)8-12(14)16-6-4-15-5-7-16;1-13-10-5-7-6(4-8(10)11)2-3-9(7)12;2*1-9(2,3)13-8(12)11-6-4-10-5-7-11;2*1-6-3-2-4-8-7(6)5-9;2*1-2-6-4-3-5-1;;/h2-4,11-12,14,25H,5-10H2,1H3;2-4,10-12,25H,5-9H2,1H3;2-4,6-8H,5H2,1H3;8-9,15H,2-7H2,1H3;4-5H,2-3H2,1H3;2*10H,4-7H2,1-3H3;2*2-5H,1H3;2*5-6H,1-4H2;2*1H4/b;14-10+;10-7+
• InChIKey: NWIATTBGOPMYAS-VKJMNCLUSA-N
• XLogP: 18.66
• TPSA: 407.16 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 14
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2513.55
LogP ≤ 5	18.66
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

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;bis(tert-butyl piperazine-1-carboxylate);methane;6-methoxy-5-piperazin-1-yl-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(3-methylpyridine-2-carbaldehyde);piperazine?

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;bis(tert-butyl piperazine-1-carboxylate);methane;6-methoxy-5-piperazin-1-yl-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(3-methylpyridine-2-carbaldehyde);piperazine (CID 159903971) 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;bis(tert-butyl piperazine-1-carboxylate);methane;6-methoxy-5-piperazin-1-yl-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(3-methylpyridine-2-carbaldehyde);piperazine.

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;bis(tert-butyl piperazine-1-carboxylate);methane;6-methoxy-5-piperazin-1-yl-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(3-methylpyridine-2-carbaldehyde);piperazine?

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;bis(tert-butyl piperazine-1-carboxylate);methane;6-methoxy-5-piperazin-1-yl-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(3-methylpyridine-2-carbaldehyde);piperazine is C.C.C1CNCCN1.C1CNCCN1.CC(C)(C)OC(=O)N1CCNCC1.CC(C)(C)OC(=O)N1CCNCC1.COc1cc2c(cc1Br)C/C(=C\c1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1Br)CCC2=O.COc1cc2c(cc1N1CCNCC1)C/C(=C\c1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCNCC1)CC(Cc1ncccc1C(F)(F)F)C2=O.COc1cc2c(cc1N1CCNCC1)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;bis(tert-butyl piperazine-1-carboxylate);methane;6-methoxy-5-piperazin-1-yl-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(3-methylpyridine-2-carbaldehyde);piperazine?

The InChIKey is NWIATTBGOPMYAS-VKJMNCLUSA-N. The full InChI is InChI=1S/C21H22F3N3O2.C21H20F3N3O2.C17H11BrF3NO2.C14H18N2O2.C10H9BrO2.2C9H18N2O2.2C7H7NO.2C4H10N2.2CH4/c2*1-29-19-12-15-13(11-18(19)27-7-5-25-6-8-27)9-14(20(15)28)10-17-16(21(22,23)24)3-2-4-26-17;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;1-18-14-9-11-10(2-3-13(11)17)8-12(14)16-6-4-15-5-7-16;1-13-10-5-7-6(4-8(10)11)2-3-9(7)12;2*1-9(2,3)13-8(12)11-6-4-10-5-7-11;2*1-6-3-2-4-8-7(6)5-9;2*1-2-6-4-3-5-1;;/h2-4,11-12,14,25H,5-10H2,1H3;2-4,10-12,25H,5-9H2,1H3;2-4,6-8H,5H2,1H3;8-9,15H,2-7H2,1H3;4-5H,2-3H2,1H3;2*10H,4-7H2,1-3H3;2*2-5H,1H3;2*5-6H,1-4H2;2*1H4/b;14-10+;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;bis(tert-butyl piperazine-1-carboxylate);methane;6-methoxy-5-piperazin-1-yl-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(3-methylpyridine-2-carbaldehyde);piperazine?

5-bromo-6-methoxy-2,3-dihydroinden-1-one;(2E)-5-bromo-6-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(tert-butyl piperazine-1-carboxylate);methane;6-methoxy-5-piperazin-1-yl-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(3-methylpyridine-2-carbaldehyde);piperazine has a molecular weight of 2513.55 g/mol, XLogP of 18.66, 14 rotatable bonds, 9 hydrogen bond donors, and 33 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;bis(tert-butyl piperazine-1-carboxylate);methane;6-methoxy-5-piperazin-1-yl-2,3-dihydroinden-1-one;6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydroinden-1-one;(2E)-6-methoxy-5-piperazin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]methylidene]-3H-inden-1-one;bis(3-methylpyridine-2-carbaldehyde);piperazine is sourced from PubChem (CID 159903971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).