1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[ethyl(methyl)amino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[methyl(propyl)amino]ethanone;bis(1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone);tungsten

C132H162F2N14O7W6-6 — CID 159537536

About 1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[ethyl(methyl)amino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[methyl(propyl)amino]ethanone;bis(1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone);tungsten

1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[ethyl(methyl)amino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[methyl(propyl)amino]ethanone;bis(1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone);tungsten (PubChem CID 159537536) has the molecular formula C132H162F2N14O7W6-6 and a molecular weight of 3197.87 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[ethyl(methyl)amino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[methyl(propyl)amino]ethanone;bis(1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone);tungsten.

Molecular Properties

• Compound Name: 1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[ethyl(methyl)amino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[methyl(propyl)amino]ethanone;bis(1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone);tungsten
• PubChem CID: 159537536
• Molecular Formula: C132H162F2N14O7W6-6
• Molecular Weight: 3197.87 g/mol
• Exact Mass: 3196.98
• IUPAC Name: 1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[ethyl(methyl)amino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[methyl(propyl)amino]ethanone;bis(1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone);tungsten
• SMILES: CCCN(C)CC(=O)c1cc(C)n(-c2cc[c-]cc2)c1C.CCN(C)CC(=O)c1cc(C)n(-c2cc[c-]cc2)c1C.Cc1cc(C(=O)CN2CC(C)CC(C)C2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCC(C)CC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1F.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].[W].[W]
• InChI: InChI=1S/C21H27N2O.C20H25N2O.2C19H23N2O.C18H20F2N2O.C18H23N2O.C17H21N2O.6W/c1-15-10-16(2)13-22(12-15)14-21(24)20-11-17(3)23(18(20)4)19-8-6-5-7-9-19;1-15-9-11-21(12-10-15)14-20(23)19-13-16(2)22(17(19)3)18-7-5-4-6-8-18;2*1-15-13-18(19(22)14-20-11-7-4-8-12-20)16(2)21(15)17-9-5-3-6-10-17;1-12-9-15(18(23)11-21-7-3-4-8-21)13(2)22(12)17-6-5-14(19)10-16(17)20;1-5-11-19(4)13-18(21)17-12-14(2)20(15(17)3)16-9-7-6-8-10-16;1-5-18(4)12-17(20)16-11-13(2)19(14(16)3)15-9-7-6-8-10-15;;;;;;/h6-9,11,15-16H,10,12-14H2,1-4H3;5-8,13,15H,9-12,14H2,1-3H3;2*5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3;5-6,9-10H,3-4,7-8,11H2,1-2H3;7-10,12H,5,11,13H2,1-4H3;7-11H,5,12H2,1-4H3;;;;;;/q4*-1;;2*-1
• InChIKey: XFBWPJJXYKINMM-UHFFFAOYSA-N
• XLogP: 25.07
• TPSA: 176.68 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 31
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3197.87
LogP ≤ 5	25.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[ethyl(methyl)amino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[methyl(propyl)amino]ethanone;bis(1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone);tungsten?

The IUPAC name of 1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[ethyl(methyl)amino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[methyl(propyl)amino]ethanone;bis(1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone);tungsten (CID 159537536) is 1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[ethyl(methyl)amino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[methyl(propyl)amino]ethanone;bis(1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone);tungsten.

What is the SMILES notation for 1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[ethyl(methyl)amino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[methyl(propyl)amino]ethanone;bis(1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone);tungsten?

The canonical SMILES for 1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[ethyl(methyl)amino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[methyl(propyl)amino]ethanone;bis(1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone);tungsten is CCCN(C)CC(=O)c1cc(C)n(-c2cc[c-]cc2)c1C.CCN(C)CC(=O)c1cc(C)n(-c2cc[c-]cc2)c1C.Cc1cc(C(=O)CN2CC(C)CC(C)C2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCC(C)CC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCCC2)c(C)n1-c1ccc(F)cc1F.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].[W].[W].

What is the InChIKey of 1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[ethyl(methyl)amino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[methyl(propyl)amino]ethanone;bis(1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone);tungsten?

The InChIKey is XFBWPJJXYKINMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N2O.C20H25N2O.2C19H23N2O.C18H20F2N2O.C18H23N2O.C17H21N2O.6W/c1-15-10-16(2)13-22(12-15)14-21(24)20-11-17(3)23(18(20)4)19-8-6-5-7-9-19;1-15-9-11-21(12-10-15)14-20(23)19-13-16(2)22(17(19)3)18-7-5-4-6-8-18;2*1-15-13-18(19(22)14-20-11-7-4-8-12-20)16(2)21(15)17-9-5-3-6-10-17;1-12-9-15(18(23)11-21-7-3-4-8-21)13(2)22(12)17-6-5-14(19)10-16(17)20;1-5-11-19(4)13-18(21)17-12-14(2)20(15(17)3)16-9-7-6-8-10-16;1-5-18(4)12-17(20)16-11-13(2)19(14(16)3)15-9-7-6-8-10-15;;;;;;/h6-9,11,15-16H,10,12-14H2,1-4H3;5-8,13,15H,9-12,14H2,1-3H3;2*5-6,9-10,13H,4,7-8,11-12,14H2,1-2H3;5-6,9-10H,3-4,7-8,11H2,1-2H3;7-10,12H,5,11,13H2,1-4H3;7-11H,5,12H2,1-4H3;;;;;;/q4*-1;;2*-1;;;;;;.

What are the key properties of 1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[ethyl(methyl)amino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[methyl(propyl)amino]ethanone;bis(1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone);tungsten?

1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[ethyl(methyl)amino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[methyl(propyl)amino]ethanone;bis(1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone);tungsten has a molecular weight of 3197.87 g/mol, XLogP of 25.07, 31 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-pyrrolidin-1-ylethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3,5-dimethylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[ethyl(methyl)amino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[methyl(propyl)amino]ethanone;bis(1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-piperidin-1-ylethanone);tungsten is sourced from PubChem (CID 159537536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).