(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole

C153H199F3N20O3 — CID 161211844

IUPAC(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole
SMILESCC(=O)c1ccc2c(c1)CC(C(C)C)=N2.CC(C)C1=NC=CC1.CC(C)C1=Nc2cc(C(F)(F)F)ccc2C1.CC(C)C1=Nc2ccc(C(=O)N3CCN(C)CC3)cc2C1.CC(C)C1=Nc2cccnc2C1.CC(C)c1nc2ccccc2n1C.CC(C)n1ccc2ccccc21.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CCCCCC(=O)c1ccc2c(c1)CC(C(C)C)=N2.Cc1cc2ccccc2n1C(C)C.Cc1ccc2c(c1)CC(C(C)C)=N2.Cc1ccc2c(c1)CC(C(C)C)=N2
InChIInChI=1S/C17H23N3O.C17H23NO.C13H15NO.C12H12F3N.3C12H15N.C11H14N2.C11H13N.C10H12N2.2C7H11N.2C6H10N2/c1-12(2)16-11-14-10-13(4-5-15(14)18-16)17(21)20-8-6-19(3)7-9-20;1-4-5-6-7-17(19)13-8-9-15-14(10-13)11-16(18-15)12(2)3;1-8(2)13-7-11-6-10(9(3)15)4-5-12(11)14-13;1-7(2)10-5-8-3-4-9(12(13,14)15)6-11(8)16-10;2*1-8(2)12-7-10-6-9(3)4-5-11(10)13-12;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)9-6-10-8(12-9)4-3-5-11-10;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8/h4-5,10,12H,6-9,11H2,1-3H3;8-10,12H,4-7,11H2,1-3H3;4-6,8H,7H2,1-3H3;3-4,6-7H,5H2,1-2H3;2*4-6,8H,7H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;3,5-6H,4H2,1-2H3;2*3-6H,1-2H3
InChIKeyUWILMIRPHZOIBS-UHFFFAOYSA-N
MW2423.41 g/mol
LogP39.63
Rot. Bonds21

About (4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole

(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole (PubChem CID 161211844) has the molecular formula C153H199F3N20O3 and a molecular weight of 2423.41 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole
PubChem CID161211844
Molecular FormulaC153H199F3N20O3
Molecular Weight2423.41 g/mol
Exact Mass2421.60
IUPAC Name(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole
SMILESCC(=O)c1ccc2c(c1)CC(C(C)C)=N2.CC(C)C1=NC=CC1.CC(C)C1=Nc2cc(C(F)(F)F)ccc2C1.CC(C)C1=Nc2ccc(C(=O)N3CCN(C)CC3)cc2C1.CC(C)C1=Nc2cccnc2C1.CC(C)c1nc2ccccc2n1C.CC(C)n1ccc2ccccc21.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CCCCCC(=O)c1ccc2c(c1)CC(C(C)C)=N2.Cc1cc2ccccc2n1C(C)C.Cc1ccc2c(c1)CC(C(C)C)=N2.Cc1ccc2c(c1)CC(C(C)C)=N2
InChIInChI=1S/C17H23N3O.C17H23NO.C13H15NO.C12H12F3N.3C12H15N.C11H14N2.C11H13N.C10H12N2.2C7H11N.2C6H10N2/c1-12(2)16-11-14-10-13(4-5-15(14)18-16)17(21)20-8-6-19(3)7-9-20;1-4-5-6-7-17(19)13-8-9-15-14(10-13)11-16(18-15)12(2)3;1-8(2)13-7-11-6-10(9(3)15)4-5-12(11)14-13;1-7(2)10-5-8-3-4-9(12(13,14)15)6-11(8)16-10;2*1-8(2)12-7-10-6-9(3)4-5-11(10)13-12;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)9-6-10-8(12-9)4-3-5-11-10;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8/h4-5,10,12H,6-9,11H2,1-3H3;8-10,12H,4-7,11H2,1-3H3;4-6,8H,7H2,1-3H3;3-4,6-7H,5H2,1-2H3;2*4-6,8H,7H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;3,5-6H,4H2,1-2H3;2*3-6H,1-2H3
InChIKeyUWILMIRPHZOIBS-UHFFFAOYSA-N
XLogP39.63
TPSA237.71 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002423.41
LogP ≤ 539.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole with MolForge

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Launch Full Analysis

Related Compounds

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US11407738, Cmpd No. 524
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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole?
The IUPAC name of (4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole (CID 161211844) is (4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole?
The canonical SMILES for (4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole is CC(=O)c1ccc2c(c1)CC(C(C)C)=N2.CC(C)C1=NC=CC1.CC(C)C1=Nc2cc(C(F)(F)F)ccc2C1.CC(C)C1=Nc2ccc(C(=O)N3CCN(C)CC3)cc2C1.CC(C)C1=Nc2cccnc2C1.CC(C)c1nc2ccccc2n1C.CC(C)n1ccc2ccccc21.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CCCCCC(=O)c1ccc2c(c1)CC(C(C)C)=N2.Cc1cc2ccccc2n1C(C)C.Cc1ccc2c(c1)CC(C(C)C)=N2.Cc1ccc2c(c1)CC(C(C)C)=N2.
What is the InChIKey of (4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole?
The InChIKey is UWILMIRPHZOIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.C17H23NO.C13H15NO.C12H12F3N.3C12H15N.C11H14N2.C11H13N.C10H12N2.2C7H11N.2C6H10N2/c1-12(2)16-11-14-10-13(4-5-15(14)18-16)17(21)20-8-6-19(3)7-9-20;1-4-5-6-7-17(19)13-8-9-15-14(10-13)11-16(18-15)12(2)3;1-8(2)13-7-11-6-10(9(3)15)4-5-12(11)14-13;1-7(2)10-5-8-3-4-9(12(13,14)15)6-11(8)16-10;2*1-8(2)12-7-10-6-9(3)4-5-11(10)13-12;1-9(2)13-10(3)8-11-6-4-5-7-12(11)13;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)9-6-10-8(12-9)4-3-5-11-10;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8/h4-5,10,12H,6-9,11H2,1-3H3;8-10,12H,4-7,11H2,1-3H3;4-6,8H,7H2,1-3H3;3-4,6-7H,5H2,1-2H3;2*4-6,8H,7H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;3,5-6H,4H2,1-2H3;2*3-6H,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole?
(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole has a molecular weight of 2423.41 g/mol, XLogP of 39.63, 21 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylindole;bis(5-methyl-2-propan-2-yl-3H-indole);1-propan-2-ylimidazole;1-propan-2-ylindole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;1-(2-propan-2-yl-3H-indol-5-yl)hexan-1-one;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-yl-3H-pyrrole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole is sourced from PubChem (CID 161211844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).