2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;2-[4-(dimethylamino)piperidin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten

C120H155N15O9W6-6 — CID 157222232

IUPAC2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;2-[4-(dimethylamino)piperidin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten
SMILESCCCOC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.COC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)C1.COC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.Cc1cc(C(=O)CN(C)CCN(C)C)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCC(N(C)C)CC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C22H29N2O2.C21H28N3O.C20H25N2O2.C19H24N3O.C19H26N3O.C19H23N2O2.6W/c1-4-14-26-20-10-12-23(13-11-20)16-22(25)21-15-17(2)24(18(21)3)19-8-6-5-7-9-19;1-16-14-20(17(2)24(16)19-8-6-5-7-9-19)21(25)15-23-12-10-18(11-13-23)22(3)4;1-15-13-19(16(2)22(15)17-7-5-4-6-8-17)20(23)14-21-11-9-18(24-3)10-12-21;1-15-13-18(16(2)22(15)17-7-5-4-6-8-17)19(23)14-21-11-9-20(3)10-12-21;1-15-13-18(19(23)14-21(5)12-11-20(3)4)16(2)22(15)17-9-7-6-8-10-17;1-14-11-18(15(2)21(14)16-7-5-4-6-8-16)19(22)13-20-10-9-17(12-20)23-3;;;;;;/h6-9,15,20H,4,10-14,16H2,1-3H3;6-9,14,18H,10-13,15H2,1-4H3;5-8,13,18H,9-12,14H2,1-3H3;5-8,13H,9-12,14H2,1-3H3;7-10,13H,11-12,14H2,1-5H3;5-8,11,17H,9-10,12-13H2,1-3H3;;;;;;/q6*-1;;;;;;
InChIKeyBFPGPRYGFUBZBS-UHFFFAOYSA-N
MW3054.70 g/mol
LogP17.94
Rot. Bonds33

About 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;2-[4-(dimethylamino)piperidin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten

2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;2-[4-(dimethylamino)piperidin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten (PubChem CID 157222232) has the molecular formula C120H155N15O9W6-6 and a molecular weight of 3054.70 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;2-[4-(dimethylamino)piperidin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;2-[4-(dimethylamino)piperidin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten
PubChem CID157222232
Molecular FormulaC120H155N15O9W6-6
Molecular Weight3054.70 g/mol
Exact Mass3053.92
IUPAC Name2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;2-[4-(dimethylamino)piperidin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten
SMILESCCCOC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.COC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)C1.COC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.Cc1cc(C(=O)CN(C)CCN(C)C)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCC(N(C)C)CC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C22H29N2O2.C21H28N3O.C20H25N2O2.C19H24N3O.C19H26N3O.C19H23N2O2.6W/c1-4-14-26-20-10-12-23(13-11-20)16-22(25)21-15-17(2)24(18(21)3)19-8-6-5-7-9-19;1-16-14-20(17(2)24(16)19-8-6-5-7-9-19)21(25)15-23-12-10-18(11-13-23)22(3)4;1-15-13-19(16(2)22(15)17-7-5-4-6-8-17)20(23)14-21-11-9-18(24-3)10-12-21;1-15-13-18(16(2)22(15)17-7-5-4-6-8-17)19(23)14-21-11-9-20(3)10-12-21;1-15-13-18(19(23)14-21(5)12-11-20(3)4)16(2)22(15)17-9-7-6-8-10-17;1-14-11-18(15(2)21(14)16-7-5-4-6-8-16)19(22)13-20-10-9-17(12-20)23-3;;;;;;/h6-9,15,20H,4,10-14,16H2,1-3H3;6-9,14,18H,10-13,15H2,1-4H3;5-8,13,18H,9-12,14H2,1-3H3;5-8,13H,9-12,14H2,1-3H3;7-10,13H,11-12,14H2,1-5H3;5-8,11,17H,9-10,12-13H2,1-3H3;;;;;;/q6*-1;;;;;;
InChIKeyBFPGPRYGFUBZBS-UHFFFAOYSA-N
XLogP17.94
TPSA188.85 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds33
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003054.70
LogP ≤ 517.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;2-[4-(dimethylamino)piperidin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;2-[4-(dimethylamino)piperidin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten?
The IUPAC name of 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;2-[4-(dimethylamino)piperidin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten (CID 157222232) is 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;2-[4-(dimethylamino)piperidin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;2-[4-(dimethylamino)piperidin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;2-[4-(dimethylamino)piperidin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten is CCCOC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.COC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)C1.COC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.Cc1cc(C(=O)CN(C)CCN(C)C)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCC(N(C)C)CC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].[W].[W].
What is the InChIKey of 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;2-[4-(dimethylamino)piperidin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten?
The InChIKey is BFPGPRYGFUBZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N2O2.C21H28N3O.C20H25N2O2.C19H24N3O.C19H26N3O.C19H23N2O2.6W/c1-4-14-26-20-10-12-23(13-11-20)16-22(25)21-15-17(2)24(18(21)3)19-8-6-5-7-9-19;1-16-14-20(17(2)24(16)19-8-6-5-7-9-19)21(25)15-23-12-10-18(11-13-23)22(3)4;1-15-13-19(16(2)22(15)17-7-5-4-6-8-17)20(23)14-21-11-9-18(24-3)10-12-21;1-15-13-18(16(2)22(15)17-7-5-4-6-8-17)19(23)14-21-11-9-20(3)10-12-21;1-15-13-18(19(23)14-21(5)12-11-20(3)4)16(2)22(15)17-9-7-6-8-10-17;1-14-11-18(15(2)21(14)16-7-5-4-6-8-16)19(22)13-20-10-9-17(12-20)23-3;;;;;;/h6-9,15,20H,4,10-14,16H2,1-3H3;6-9,14,18H,10-13,15H2,1-4H3;5-8,13,18H,9-12,14H2,1-3H3;5-8,13H,9-12,14H2,1-3H3;7-10,13H,11-12,14H2,1-5H3;5-8,11,17H,9-10,12-13H2,1-3H3;;;;;;/q6*-1;;;;;;.
What are the key properties of 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;2-[4-(dimethylamino)piperidin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten?
2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;2-[4-(dimethylamino)piperidin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten has a molecular weight of 3054.70 g/mol, XLogP of 17.94, 33 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;2-[4-(dimethylamino)piperidin-1-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methoxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-methoxypyrrolidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-methylpiperazin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten is sourced from PubChem (CID 157222232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).