3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethylpiperidin-2-yl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methoxycyclohexyl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-methoxycyclohexyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone;tungsten

C124H162N12O9W6-6 — CID 158170487

IUPAC3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethylpiperidin-2-yl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methoxycyclohexyl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-methoxycyclohexyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone;tungsten
SMILESCCC1CCNC(N(C)CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)C1.COC1CCC(CCC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.COC1CCC(N(C)CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.COCCN(C)CC(=O)c1cc(C)n(-c2cc[c-]cc2)c1C.Cc1cc(C(=O)CCC2CCCCC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN(C)CCN(C)C)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C22H30N3O.C22H29N2O2.C22H28NO2.C21H26NO.C19H26N3O.C18H23N2O2.6W/c1-5-18-11-12-23-22(14-18)24(4)15-21(26)20-13-16(2)25(17(20)3)19-9-7-6-8-10-19;1-16-14-21(17(2)24(16)19-8-6-5-7-9-19)22(25)15-23(3)18-10-12-20(26-4)13-11-18;1-16-15-21(17(2)23(16)19-7-5-4-6-8-19)22(24)14-11-18-9-12-20(25-3)13-10-18;1-16-15-20(17(2)22(16)19-11-7-4-8-12-19)21(23)14-13-18-9-5-3-6-10-18;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;1-14-12-17(18(21)13-19(3)10-11-22-4)15(2)20(14)16-8-6-5-7-9-16;;;;;;/h7-10,13,18,22-23H,5,11-12,14-15H2,1-4H3;6-9,14,18,20H,10-13,15H2,1-4H3;5-8,15,18,20H,9-14H2,1-3H3;7-8,11-12,15,18H,3,5-6,9-10,13-14H2,1-2H3;7-10,13H,11-12,14H2,1-5H3;6-9,12H,10-11,13H2,1-4H3;;;;;;/q6*-1;;;;;;
InChIKeyIDPHJVOUFHJZSI-UHFFFAOYSA-N
MW3067.77 g/mol
LogP23.42
Rot. Bonds37

About 3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethylpiperidin-2-yl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methoxycyclohexyl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-methoxycyclohexyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone;tungsten

3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethylpiperidin-2-yl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methoxycyclohexyl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-methoxycyclohexyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone;tungsten (PubChem CID 158170487) has the molecular formula C124H162N12O9W6-6 and a molecular weight of 3067.77 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethylpiperidin-2-yl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methoxycyclohexyl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-methoxycyclohexyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone;tungsten.

Molecular Properties

Compound Name3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethylpiperidin-2-yl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methoxycyclohexyl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-methoxycyclohexyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone;tungsten
PubChem CID158170487
Molecular FormulaC124H162N12O9W6-6
Molecular Weight3067.77 g/mol
Exact Mass3066.97
IUPAC Name3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethylpiperidin-2-yl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methoxycyclohexyl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-methoxycyclohexyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone;tungsten
SMILESCCC1CCNC(N(C)CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)C1.COC1CCC(CCC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.COC1CCC(N(C)CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.COCCN(C)CC(=O)c1cc(C)n(-c2cc[c-]cc2)c1C.Cc1cc(C(=O)CCC2CCCCC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN(C)CCN(C)C)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C22H30N3O.C22H29N2O2.C22H28NO2.C21H26NO.C19H26N3O.C18H23N2O2.6W/c1-5-18-11-12-23-22(14-18)24(4)15-21(26)20-13-16(2)25(17(20)3)19-9-7-6-8-10-19;1-16-14-21(17(2)24(16)19-8-6-5-7-9-19)22(25)15-23(3)18-10-12-20(26-4)13-11-18;1-16-15-21(17(2)23(16)19-7-5-4-6-8-19)22(24)14-11-18-9-12-20(25-3)13-10-18;1-16-15-20(17(2)22(16)19-11-7-4-8-12-19)21(23)14-13-18-9-5-3-6-10-18;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;1-14-12-17(18(21)13-19(3)10-11-22-4)15(2)20(14)16-8-6-5-7-9-16;;;;;;/h7-10,13,18,22-23H,5,11-12,14-15H2,1-4H3;6-9,14,18,20H,10-13,15H2,1-4H3;5-8,15,18,20H,9-14H2,1-3H3;7-8,11-12,15,18H,3,5-6,9-10,13-14H2,1-2H3;7-10,13H,11-12,14H2,1-5H3;6-9,12H,10-11,13H2,1-4H3;;;;;;/q6*-1;;;;;;
InChIKeyIDPHJVOUFHJZSI-UHFFFAOYSA-N
XLogP23.42
TPSA187.92 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds37
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003067.77
LogP ≤ 523.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethylpiperidin-2-yl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methoxycyclohexyl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-methoxycyclohexyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone;tungsten with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethylpiperidin-2-yl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methoxycyclohexyl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-methoxycyclohexyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone;tungsten?
The IUPAC name of 3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethylpiperidin-2-yl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methoxycyclohexyl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-methoxycyclohexyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone;tungsten (CID 158170487) is 3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethylpiperidin-2-yl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methoxycyclohexyl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-methoxycyclohexyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone;tungsten.
What is the SMILES notation for 3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethylpiperidin-2-yl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methoxycyclohexyl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-methoxycyclohexyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone;tungsten?
The canonical SMILES for 3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethylpiperidin-2-yl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methoxycyclohexyl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-methoxycyclohexyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone;tungsten is CCC1CCNC(N(C)CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)C1.COC1CCC(CCC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.COC1CCC(N(C)CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.COCCN(C)CC(=O)c1cc(C)n(-c2cc[c-]cc2)c1C.Cc1cc(C(=O)CCC2CCCCC2)c(C)n1-c1cc[c-]cc1.Cc1cc(C(=O)CN(C)CCN(C)C)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].[W].[W].
What is the InChIKey of 3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethylpiperidin-2-yl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methoxycyclohexyl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-methoxycyclohexyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone;tungsten?
The InChIKey is IDPHJVOUFHJZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N3O.C22H29N2O2.C22H28NO2.C21H26NO.C19H26N3O.C18H23N2O2.6W/c1-5-18-11-12-23-22(14-18)24(4)15-21(26)20-13-16(2)25(17(20)3)19-9-7-6-8-10-19;1-16-14-21(17(2)24(16)19-8-6-5-7-9-19)22(25)15-23(3)18-10-12-20(26-4)13-11-18;1-16-15-21(17(2)23(16)19-7-5-4-6-8-19)22(24)14-11-18-9-12-20(25-3)13-10-18;1-16-15-20(17(2)22(16)19-11-7-4-8-12-19)21(23)14-13-18-9-5-3-6-10-18;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;1-14-12-17(18(21)13-19(3)10-11-22-4)15(2)20(14)16-8-6-5-7-9-16;;;;;;/h7-10,13,18,22-23H,5,11-12,14-15H2,1-4H3;6-9,14,18,20H,10-13,15H2,1-4H3;5-8,15,18,20H,9-14H2,1-3H3;7-8,11-12,15,18H,3,5-6,9-10,13-14H2,1-2H3;7-10,13H,11-12,14H2,1-5H3;6-9,12H,10-11,13H2,1-4H3;;;;;;/q6*-1;;;;;;.
What are the key properties of 3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethylpiperidin-2-yl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methoxycyclohexyl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-methoxycyclohexyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone;tungsten?
3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethylpiperidin-2-yl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methoxycyclohexyl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-methoxycyclohexyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone;tungsten has a molecular weight of 3067.77 g/mol, XLogP of 23.42, 37 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[2-(dimethylamino)ethyl-methylamino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-ethylpiperidin-2-yl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[(4-methoxycyclohexyl)-methylamino]ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-3-(4-methoxycyclohexyl)propan-1-one;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone;tungsten is sourced from PubChem (CID 158170487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).