4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-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]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole

C141H144F13N15 — CID 160697412

About 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-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]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole

4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-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]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 160697412) has the molecular formula C141H144F13N15 and a molecular weight of 2295.78 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]-5-fluoro-7-methyl-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]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole.

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]-5-fluoro-7-methyl-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]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole
• PubChem CID: 160697412
• Molecular Formula: C141H144F13N15
• Molecular Weight: 2295.78 g/mol
• Exact Mass: 2294.15
• 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]-5-fluoro-7-methyl-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]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(C)c3[nH]ccc13)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C=CC3)CN(Cc1cc(C(F)(F)F)ccc1C)C2(C)C.[C-]#[N+]C1=CCc2cccc(-c3c4c(nn3-c3c(CC)cccc3CC)C(C)(C)N(Cc3ccc(C(F)(F)F)cc3C)C4)c21
• InChI: InChI=1S/C36H35F3N4.C35H36F4N4.C35H37F3N4.C35H36F3N3/c1-7-23-11-9-12-24(8-2)32(23)43-33(28-14-10-13-25-16-18-30(40-6)31(25)28)29-21-42(35(4,5)34(29)41-43)20-26-15-17-27(19-22(26)3)36(37,38)39;1-7-22-10-9-11-23(8-2)31(22)43-32(29-26-14-15-40-30(26)21(4)17-28(29)36)27-19-42(34(5,6)33(27)41-43)18-24-12-13-25(16-20(24)3)35(37,38)39;1-7-23-10-9-11-24(8-2)31(23)42-32(28-15-12-21(3)30-27(28)16-17-39-30)29-20-41(34(5,6)33(29)40-42)19-25-13-14-26(18-22(25)4)35(36,37)38;1-6-23-11-8-12-24(7-2)31(23)41-32(29-16-10-14-25-13-9-15-28(25)29)30-21-40(34(4,5)33(30)39-41)20-26-19-27(35(36,37)38)18-17-22(26)3/h9-15,17-19H,7-8,16,20-21H2,1-5H3;9-17,40H,7-8,18-19H2,1-6H3;9-18,39H,7-8,19-20H2,1-6H3;8-12,14-19H,6-7,13,20-21H2,1-5H3
• InChIKey: RQEDMRTZZKTFHV-UHFFFAOYSA-N
• XLogP: 36.07
• TPSA: 120.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2295.78
LogP ≤ 5	36.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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]-5-fluoro-7-methyl-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]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole?

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]-5-fluoro-7-methyl-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]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole (CID 160697412) is 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-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]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole.

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]-5-fluoro-7-methyl-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]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole?

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]-5-fluoro-7-methyl-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]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole is CCc1cccc(CC)c1-n1nc2c(c1-c1c(F)cc(C)c3[nH]ccc13)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C=CC3)CN(Cc1cc(C(F)(F)F)ccc1C)C2(C)C.[C-]#[N+]C1=CCc2cccc(-c3c4c(nn3-c3c(CC)cccc3CC)C(C)(C)N(Cc3ccc(C(F)(F)F)cc3C)C4)c21.

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]-5-fluoro-7-methyl-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]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole?

The InChIKey is RQEDMRTZZKTFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35F3N4.C35H36F4N4.C35H37F3N4.C35H36F3N3/c1-7-23-11-9-12-24(8-2)32(23)43-33(28-14-10-13-25-16-18-30(40-6)31(25)28)29-21-42(35(4,5)34(29)41-43)20-26-15-17-27(19-22(26)3)36(37,38)39;1-7-22-10-9-11-23(8-2)31(22)43-32(29-26-14-15-40-30(26)21(4)17-28(29)36)27-19-42(34(5,6)33(27)41-43)18-24-12-13-25(16-20(24)3)35(37,38)39;1-7-23-10-9-11-24(8-2)31(23)42-32(28-15-12-21(3)30-27(28)16-17-39-30)29-20-41(34(5,6)33(29)40-42)19-25-13-14-26(18-22(25)4)35(36,37)38;1-6-23-11-8-12-24(7-2)31(23)41-32(29-16-10-14-25-13-9-15-28(25)29)30-21-40(34(4,5)33(30)39-41)20-26-19-27(35(36,37)38)18-17-22(26)3/h9-15,17-19H,7-8,16,20-21H2,1-5H3;9-17,40H,7-8,18-19H2,1-6H3;9-18,39H,7-8,19-20H2,1-6H3;8-12,14-19H,6-7,13,20-21H2,1-5H3.

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]-5-fluoro-7-methyl-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]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole?

4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-5-fluoro-7-methyl-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]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 2295.78 g/mol, XLogP of 36.07, 24 rotatable bonds, 2 hydrogen bond donors, and 12 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]-5-fluoro-7-methyl-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]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-3-(3-isocyano-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 160697412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).