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-(3-methoxypiperidin-1-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-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten

C124H162N14O10W6-6 — CID 157225294

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-(3-methoxypiperidin-1-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-(4-propan-2-yloxypiperidin-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.COC1CCCN(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)CN2CCC(OC(C)C)CC2)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].[W].[W]
InChIInChI=1S/2C22H29N2O2.C21H28N3O.2C20H25N2O2.C19H26N3O.6W/c1-16(2)26-20-10-12-23(13-11-20)15-22(25)21-14-17(3)24(18(21)4)19-8-6-5-7-9-19;1-4-14-26-20-10-12-23(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;1-15-12-19(16(2)22(15)17-8-5-4-6-9-17)20(23)14-21-11-7-10-18(13-21)24-3;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(19(23)14-21(5)12-11-20(3)4)16(2)22(15)17-9-7-6-8-10-17;;;;;;/h6-9,14,16,20H,10-13,15H2,1-4H3;6-9,15,20H,4,10-14,16H2,1-3H3;6-9,14,18H,10-13,15H2,1-4H3;5-6,8-9,12,18H,7,10-11,13-14H2,1-3H3;5-8,13,18H,9-12,14H2,1-3H3;7-10,13H,11-12,14H2,1-5H3;;;;;;/q6*-1;;;;;;
InChIKeyNNBFUJVLRHWFIH-UHFFFAOYSA-N
MW3111.79 g/mol
LogP19.97
Rot. Bonds35

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-(3-methoxypiperidin-1-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-(4-propan-2-yloxypiperidin-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-(3-methoxypiperidin-1-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-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten (PubChem CID 157225294) has the molecular formula C124H162N14O10W6-6 and a molecular weight of 3111.79 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-(3-methoxypiperidin-1-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-(4-propan-2-yloxypiperidin-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-(3-methoxypiperidin-1-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-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten
PubChem CID157225294
Molecular FormulaC124H162N14O10W6-6
Molecular Weight3111.79 g/mol
Exact Mass3110.97
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-(3-methoxypiperidin-1-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-(4-propan-2-yloxypiperidin-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.COC1CCCN(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)CN2CCC(OC(C)C)CC2)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].[W].[W]
InChIInChI=1S/2C22H29N2O2.C21H28N3O.2C20H25N2O2.C19H26N3O.6W/c1-16(2)26-20-10-12-23(13-11-20)15-22(25)21-14-17(3)24(18(21)4)19-8-6-5-7-9-19;1-4-14-26-20-10-12-23(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;1-15-12-19(16(2)22(15)17-8-5-4-6-9-17)20(23)14-21-11-7-10-18(13-21)24-3;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(19(23)14-21(5)12-11-20(3)4)16(2)22(15)17-9-7-6-8-10-17;;;;;;/h6-9,14,16,20H,10-13,15H2,1-4H3;6-9,15,20H,4,10-14,16H2,1-3H3;6-9,14,18H,10-13,15H2,1-4H3;5-6,8-9,12,18H,7,10-11,13-14H2,1-3H3;5-8,13,18H,9-12,14H2,1-3H3;7-10,13H,11-12,14H2,1-5H3;;;;;;/q6*-1;;;;;;
InChIKeyNNBFUJVLRHWFIH-UHFFFAOYSA-N
XLogP19.97
TPSA194.84 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003111.79
LogP ≤ 519.97
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-(3-methoxypiperidin-1-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-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(3-methoxypiperidin-1-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-(4-propan-2-yloxypiperidin-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-(3-methoxypiperidin-1-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-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten (CID 157225294) 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-(3-methoxypiperidin-1-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-(4-propan-2-yloxypiperidin-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-(3-methoxypiperidin-1-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-(4-propan-2-yloxypiperidin-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-(3-methoxypiperidin-1-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-(4-propan-2-yloxypiperidin-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.COC1CCCN(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)CN2CCC(OC(C)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-(3-methoxypiperidin-1-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-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten?
The InChIKey is NNBFUJVLRHWFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H29N2O2.C21H28N3O.2C20H25N2O2.C19H26N3O.6W/c1-16(2)26-20-10-12-23(13-11-20)15-22(25)21-14-17(3)24(18(21)4)19-8-6-5-7-9-19;1-4-14-26-20-10-12-23(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;1-15-12-19(16(2)22(15)17-8-5-4-6-9-17)20(23)14-21-11-7-10-18(13-21)24-3;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(19(23)14-21(5)12-11-20(3)4)16(2)22(15)17-9-7-6-8-10-17;;;;;;/h6-9,14,16,20H,10-13,15H2,1-4H3;6-9,15,20H,4,10-14,16H2,1-3H3;6-9,14,18H,10-13,15H2,1-4H3;5-6,8-9,12,18H,7,10-11,13-14H2,1-3H3;5-8,13,18H,9-12,14H2,1-3H3;7-10,13H,11-12,14H2,1-5H3;;;;;;/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-(3-methoxypiperidin-1-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-(4-propan-2-yloxypiperidin-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-(3-methoxypiperidin-1-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-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten has a molecular weight of 3111.79 g/mol, XLogP of 19.97, 35 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-(3-methoxypiperidin-1-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-(4-propan-2-yloxypiperidin-1-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-propoxypiperidin-1-yl)ethanone;tungsten is sourced from PubChem (CID 157225294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).