Methane;(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;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-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole
C111H143F3N16O2 — CID 159645131
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACmethane;(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;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-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole
SMILESC.CC(=O)c1ccc2c(c1)CC(C(C)C)=N2.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)n1cccn1.CC(C)n1ccnc1.Cc1cc2ccccc2n1C(C)C.Cc1ccc2c(c1)CC(C(C)C)=N2
InChIInChI=1S/C17H23N3O.C13H15NO.C12H12F3N.2C12H15N.C11H14N2.C11H13N.C10H12N2.2C6H10N2.CH4/c1-12(2)16-11-14-10-13(4-5-15(14)18-16)17(21)20-8-6-19(3)7-9-20;1-8(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;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;1-6(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;4-6,8H,7H2,1-3H3;3-4,6-7H,5H2,1-2H3;4-6,8H,7H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;3-5,7H,6H2,1-2H3;2*3-6H,1-2H3;1H4
InChIKeyMQWAAKWBYOMCKQ-UHFFFAOYSA-N
MW1790.47 g/mol
LogP28.18
Rot. Bonds12
About Methane;(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;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-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole
Methane;(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;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-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole (PubChem CID 159645131) has the molecular formula C111H143F3N16O2 and a molecular weight of 1790.47 g/mol. Its IUPAC name is methane;(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;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-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole.
Molecular Properties
| Compound Name | Methane;(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;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-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole |
|---|---|
| PubChem CID | 159645131 |
| Molecular Formula | C111H143F3N16O2 |
| Molecular Weight | 1790.47 g/mol |
| Exact Mass | 1789.15 |
| IUPAC Name | methane;(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;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-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole |
| SMILES | C.CC(=O)c1ccc2c(c1)CC(C(C)C)=N2.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)n1cccn1.CC(C)n1ccnc1.Cc1cc2ccccc2n1C(C)C.Cc1ccc2c(c1)CC(C(C)C)=N2 |
| InChI | InChI=1S/C17H23N3O.C13H15NO.C12H12F3N.2C12H15N.C11H14N2.C11H13N.C10H12N2.2C6H10N2.CH4/c1-12(2)16-11-14-10-13(4-5-15(14)18-16)17(21)20-8-6-19(3)7-9-20;1-8(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;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;1-6(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;4-6,8H,7H2,1-3H3;3-4,6-7H,5H2,1-2H3;4-6,8H,7H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;3-5,7H,6H2,1-2H3;2*3-6H,1-2H3;1H4 |
| InChIKey | MQWAAKWBYOMCKQ-UHFFFAOYSA-N |
| XLogP | 28.18 |
| TPSA | 178.63 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 132 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1790.47 |
| LogP ≤ 5 | 28.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |
Frequently Asked Questions
What is the IUPAC name of Methane;(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;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-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole?
The IUPAC name of Methane;(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;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-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole (CID 159645131) is methane;(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;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-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole.
What is the SMILES notation for Methane;(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;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-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole?
The canonical SMILES for Methane;(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;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-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole is C.CC(=O)c1ccc2c(c1)CC(C(C)C)=N2.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)n1cccn1.CC(C)n1ccnc1.Cc1cc2ccccc2n1C(C)C.Cc1ccc2c(c1)CC(C(C)C)=N2.
What is the InChIKey of Methane;(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;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-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole?
The InChIKey is MQWAAKWBYOMCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.C13H15NO.C12H12F3N.2C12H15N.C11H14N2.C11H13N.C10H12N2.2C6H10N2.CH4/c1-12(2)16-11-14-10-13(4-5-15(14)18-16)17(21)20-8-6-19(3)7-9-20;1-8(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;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;1-6(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;4-6,8H,7H2,1-3H3;3-4,6-7H,5H2,1-2H3;4-6,8H,7H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3;3-9H,1-2H3;3-5,7H,6H2,1-2H3;2*3-6H,1-2H3;1H4.
What are the key properties of Methane;(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;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-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole?
Methane;(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;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-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole has a molecular weight of 1790.47 g/mol, XLogP of 28.18, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for Methane;(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;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-propan-2-ylpyrazole;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole is sourced from PubChem (CID 159645131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159645131 — identifiers, structure, computed properties (public domain)
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