5-fluoro-2-propan-2-yl-3H-indole;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole

C74H88F4N10O2 — CID 160629413

IUPAC5-fluoro-2-propan-2-yl-3H-indole;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;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=Nc2cc(C(F)(F)F)ccc2C1.CC(C)C1=Nc2ccc(C(=O)N3CCN(C)CC3)cc2C1.CC(C)C1=Nc2ccc(F)cc2C1.CC(C)C1=Nc2cccnc2C1.CC(C)c1nc2ccccc2n1C
InChIInChI=1S/C17H23N3O.C13H15NO.C12H12F3N.C11H12FN.C11H14N2.C10H12N2/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;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-7(2)9-6-10-8(12-9)4-3-5-11-10/h4-5,10,12H,6-9,11H2,1-3H3;4-6,8H,7H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;3-5,7H,6H2,1-2H3
InChIKeyRHSOMLIPQPKNMG-UHFFFAOYSA-N
MW1225.58 g/mol
LogP17.70
Rot. Bonds8

About 5-fluoro-2-propan-2-yl-3H-indole;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole

5-fluoro-2-propan-2-yl-3H-indole;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole (PubChem CID 160629413) has the molecular formula C74H88F4N10O2 and a molecular weight of 1225.58 g/mol. Its IUPAC name is 5-fluoro-2-propan-2-yl-3H-indole;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole.

Molecular Properties

Compound Name5-fluoro-2-propan-2-yl-3H-indole;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole
PubChem CID160629413
Molecular FormulaC74H88F4N10O2
Molecular Weight1225.58 g/mol
Exact Mass1224.70
IUPAC Name5-fluoro-2-propan-2-yl-3H-indole;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;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=Nc2cc(C(F)(F)F)ccc2C1.CC(C)C1=Nc2ccc(C(=O)N3CCN(C)CC3)cc2C1.CC(C)C1=Nc2ccc(F)cc2C1.CC(C)C1=Nc2cccnc2C1.CC(C)c1nc2ccccc2n1C
InChIInChI=1S/C17H23N3O.C13H15NO.C12H12F3N.C11H12FN.C11H14N2.C10H12N2/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;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-7(2)9-6-10-8(12-9)4-3-5-11-10/h4-5,10,12H,6-9,11H2,1-3H3;4-6,8H,7H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;3-5,7H,6H2,1-2H3
InChIKeyRHSOMLIPQPKNMG-UHFFFAOYSA-N
XLogP17.70
TPSA133.13 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001225.58
LogP ≤ 517.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-fluoro-2-propan-2-yl-3H-indole;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propan-2-yl-3H-indole;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole?
The IUPAC name of 5-fluoro-2-propan-2-yl-3H-indole;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole (CID 160629413) is 5-fluoro-2-propan-2-yl-3H-indole;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole.
What is the SMILES notation for 5-fluoro-2-propan-2-yl-3H-indole;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole?
The canonical SMILES for 5-fluoro-2-propan-2-yl-3H-indole;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;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=Nc2cc(C(F)(F)F)ccc2C1.CC(C)C1=Nc2ccc(C(=O)N3CCN(C)CC3)cc2C1.CC(C)C1=Nc2ccc(F)cc2C1.CC(C)C1=Nc2cccnc2C1.CC(C)c1nc2ccccc2n1C.
What is the InChIKey of 5-fluoro-2-propan-2-yl-3H-indole;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole?
The InChIKey is RHSOMLIPQPKNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.C13H15NO.C12H12F3N.C11H12FN.C11H14N2.C10H12N2/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;1-7(2)11-6-8-5-9(12)3-4-10(8)13-11;1-8(2)11-12-9-6-4-5-7-10(9)13(11)3;1-7(2)9-6-10-8(12-9)4-3-5-11-10/h4-5,10,12H,6-9,11H2,1-3H3;4-6,8H,7H2,1-3H3;3-4,6-7H,5H2,1-2H3;3-5,7H,6H2,1-2H3;4-8H,1-3H3;3-5,7H,6H2,1-2H3.
What are the key properties of 5-fluoro-2-propan-2-yl-3H-indole;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole?
5-fluoro-2-propan-2-yl-3H-indole;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole has a molecular weight of 1225.58 g/mol, XLogP of 17.70, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propan-2-yl-3H-indole;(4-methylpiperazin-1-yl)-(2-propan-2-yl-3H-indol-5-yl)methanone;1-methyl-2-propan-2-ylbenzimidazole;1-(2-propan-2-yl-3H-indol-5-yl)ethanone;2-propan-2-yl-3H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-6-(trifluoromethyl)-3H-indole is sourced from PubChem (CID 160629413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).