4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-6-fluoro-1H-indole

C34H34F4N4 — CID 158362315

About 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-6-fluoro-1H-indole

4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-6-fluoro-1H-indole (PubChem CID 158362315) has the molecular formula C34H34F4N4 and a molecular weight of 574.67 g/mol. Its IUPAC name is 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-6-fluoro-1H-indole.

Molecular Properties

• Compound Name: 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-6-fluoro-1H-indole
• PubChem CID: 158362315
• Molecular Formula: C34H34F4N4
• Molecular Weight: 574.67 g/mol
• Exact Mass: 574.27
• IUPAC Name: 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-6-fluoro-1H-indole
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)cc3[nH]ccc13)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C
• InChI: InChI=1S/C34H34F4N4/c1-6-21-9-8-10-22(7-2)30(21)42-31(27-16-25(35)17-29-26(27)13-14-39-29)28-19-41(33(4,5)32(28)40-42)18-23-11-12-24(15-20(23)3)34(36,37)38/h8-17,39H,6-7,18-19H2,1-5H3
• InChIKey: GTPRVZIOKFPEFY-UHFFFAOYSA-N
• XLogP: 8.86
• TPSA: 36.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.67
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-6-fluoro-1H-indole?

The IUPAC name of 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-6-fluoro-1H-indole (CID 158362315) is 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-6-fluoro-1H-indole.

What is the SMILES notation for 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-6-fluoro-1H-indole?

The canonical SMILES for 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-6-fluoro-1H-indole is CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)cc3[nH]ccc13)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.

What is the InChIKey of 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-6-fluoro-1H-indole?

The InChIKey is GTPRVZIOKFPEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F4N4/c1-6-21-9-8-10-22(7-2)30(21)42-31(27-16-25(35)17-29-26(27)13-14-39-29)28-19-41(33(4,5)32(28)40-42)18-23-11-12-24(15-20(23)3)34(36,37)38/h8-17,39H,6-7,18-19H2,1-5H3.

What are the key properties of 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-6-fluoro-1H-indole?

4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-6-fluoro-1H-indole has a molecular weight of 574.67 g/mol, XLogP of 8.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-6-fluoro-1H-indole is sourced from PubChem (CID 158362315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).