3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[cyclohexyl(methyl)amino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-ethylpiperidin-1-yl)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

C125H160N10O9W6-6 — CID 159755078

IUPAC3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[cyclohexyl(methyl)amino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-ethylpiperidin-1-yl)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
SMILESCCC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.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)C2CCCCC2)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C22H29N2O2.C22H28NO2.2C21H27N2O.C21H26NO.C18H23N2O2.6W/c1-16-14-21(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;1-16-14-20(17(2)23(16)19-12-8-5-9-13-19)21(24)15-22(3)18-10-6-4-7-11-18;1-4-18-10-12-22(13-11-18)15-21(24)20-14-16(2)23(17(20)3)19-8-6-5-7-9-19;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;1-14-12-17(18(21)13-19(3)10-11-22-4)15(2)20(14)16-8-6-5-7-9-16;;;;;;/h6-9,14,18,20H,10-13,15H2,1-4H3;5-8,15,18,20H,9-14H2,1-3H3;8-9,12-14,18H,4,6-7,10-11,15H2,1-3H3;6-9,14,18H,4,10-13,15H2,1-3H3;7-8,11-12,15,18H,3,5-6,9-10,13-14H2,1-2H3;6-9,12H,10-11,13H2,1-4H3;;;;;;/q6*-1;;;;;;
InChIKeyGSHMXXCNLOIZAF-UHFFFAOYSA-N
MW3049.76 g/mol
LogP25.65
Rot. Bonds34

About 3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[cyclohexyl(methyl)amino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-ethylpiperidin-1-yl)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-[cyclohexyl(methyl)amino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-ethylpiperidin-1-yl)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 159755078) has the molecular formula C125H160N10O9W6-6 and a molecular weight of 3049.76 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[cyclohexyl(methyl)amino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-ethylpiperidin-1-yl)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-[cyclohexyl(methyl)amino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-ethylpiperidin-1-yl)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 CID159755078
Molecular FormulaC125H160N10O9W6-6
Molecular Weight3049.76 g/mol
Exact Mass3048.95
IUPAC Name3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[cyclohexyl(methyl)amino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-ethylpiperidin-1-yl)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
SMILESCCC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.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)C2CCCCC2)c(C)n1-c1cc[c-]cc1.[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C22H29N2O2.C22H28NO2.2C21H27N2O.C21H26NO.C18H23N2O2.6W/c1-16-14-21(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;1-16-14-20(17(2)23(16)19-12-8-5-9-13-19)21(24)15-22(3)18-10-6-4-7-11-18;1-4-18-10-12-22(13-11-18)15-21(24)20-14-16(2)23(17(20)3)19-8-6-5-7-9-19;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;1-14-12-17(18(21)13-19(3)10-11-22-4)15(2)20(14)16-8-6-5-7-9-16;;;;;;/h6-9,14,18,20H,10-13,15H2,1-4H3;5-8,15,18,20H,9-14H2,1-3H3;8-9,12-14,18H,4,6-7,10-11,15H2,1-3H3;6-9,14,18H,4,10-13,15H2,1-3H3;7-8,11-12,15,18H,3,5-6,9-10,13-14H2,1-2H3;6-9,12H,10-11,13H2,1-4H3;;;;;;/q6*-1;;;;;;
InChIKeyGSHMXXCNLOIZAF-UHFFFAOYSA-N
XLogP25.65
TPSA172.65 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds34
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003049.76
LogP ≤ 525.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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-[cyclohexyl(methyl)amino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-ethylpiperidin-1-yl)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-[cyclohexyl(methyl)amino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-ethylpiperidin-1-yl)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-[cyclohexyl(methyl)amino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-ethylpiperidin-1-yl)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 159755078) is 3-cyclohexyl-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)propan-1-one;2-[cyclohexyl(methyl)amino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-ethylpiperidin-1-yl)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-[cyclohexyl(methyl)amino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-ethylpiperidin-1-yl)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-[cyclohexyl(methyl)amino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-ethylpiperidin-1-yl)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 CCC1CCN(CC(=O)c2cc(C)n(-c3cc[c-]cc3)c2C)CC1.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)C2CCCCC2)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-[cyclohexyl(methyl)amino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-ethylpiperidin-1-yl)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 GSHMXXCNLOIZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N2O2.C22H28NO2.2C21H27N2O.C21H26NO.C18H23N2O2.6W/c1-16-14-21(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;1-16-14-20(17(2)23(16)19-12-8-5-9-13-19)21(24)15-22(3)18-10-6-4-7-11-18;1-4-18-10-12-22(13-11-18)15-21(24)20-14-16(2)23(17(20)3)19-8-6-5-7-9-19;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;1-14-12-17(18(21)13-19(3)10-11-22-4)15(2)20(14)16-8-6-5-7-9-16;;;;;;/h6-9,14,18,20H,10-13,15H2,1-4H3;5-8,15,18,20H,9-14H2,1-3H3;8-9,12-14,18H,4,6-7,10-11,15H2,1-3H3;6-9,14,18H,4,10-13,15H2,1-3H3;7-8,11-12,15,18H,3,5-6,9-10,13-14H2,1-2H3;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-[cyclohexyl(methyl)amino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-ethylpiperidin-1-yl)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-[cyclohexyl(methyl)amino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-ethylpiperidin-1-yl)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 3049.76 g/mol, XLogP of 25.65, 34 rotatable bonds, 0 hydrogen bond donors, and 19 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-[cyclohexyl(methyl)amino]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone;1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(4-ethylpiperidin-1-yl)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 159755078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).