3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole

C133H145ClF12N14O — CID 157373323

About 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole

3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole (PubChem CID 157373323) has the molecular formula C133H145ClF12N14O and a molecular weight of 2219.15 g/mol. Its IUPAC name is 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole.

Molecular Properties

• Compound Name: 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole
• PubChem CID: 157373323
• Molecular Formula: C133H145ClF12N14O
• Molecular Weight: 2219.15 g/mol
• Exact Mass: 2217.12
• IUPAC Name: 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(C(=O)C(C)(C)C(F)(F)F)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(CC(C)(C)C(F)(F)F)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C(C)=CC3)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C(Cl)=CC3)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C
• InChI: InChI=1S/C36H38F3N3.C35H35ClF3N3.C31H35F3N4O.C31H37F3N4/c1-7-24-11-9-12-25(8-2)32(24)42-33(29-14-10-13-26-16-15-22(3)31(26)29)30-21-41(35(5,6)34(30)40-42)20-27-17-18-28(19-23(27)4)36(37,38)39;1-6-22-10-8-11-23(7-2)31(22)42-32(27-13-9-12-24-15-17-29(36)30(24)27)28-20-41(34(4,5)33(28)40-42)19-25-14-16-26(18-21(25)3)35(37,38)39;1-8-19-11-10-12-20(9-2)25(19)38-26(22-14-13-18(3)24-21(22)15-16-35-24)23-17-37(30(6,7)27(23)36-38)28(39)29(4,5)31(32,33)34;1-8-20-11-10-12-21(9-2)26(20)38-27(23-14-13-19(3)25-22(23)15-16-35-25)24-17-37(30(6,7)28(24)36-38)18-29(4,5)31(32,33)34/h9-15,17-19H,7-8,16,20-21H2,1-6H3;8-14,16-18H,6-7,15,19-20H2,1-5H3;10-16,35H,8-9,17H2,1-7H3;10-16,35H,8-9,17-18H2,1-7H3
• InChIKey: BKADSWWVODHRHH-UHFFFAOYSA-N
• XLogP: 34.29
• TPSA: 132.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2219.15
LogP ≤ 5	34.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole?

The IUPAC name of 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole (CID 157373323) is 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole.

What is the SMILES notation for 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole?

The canonical SMILES for 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(C(=O)C(C)(C)C(F)(F)F)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(CC(C)(C)C(F)(F)F)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C(C)=CC3)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C(Cl)=CC3)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.

What is the InChIKey of 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole?

The InChIKey is BKADSWWVODHRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38F3N3.C35H35ClF3N3.C31H35F3N4O.C31H37F3N4/c1-7-24-11-9-12-25(8-2)32(24)42-33(29-14-10-13-26-16-15-22(3)31(26)29)30-21-41(35(5,6)34(30)40-42)20-27-17-18-28(19-23(27)4)36(37,38)39;1-6-22-10-8-11-23(7-2)31(22)42-32(27-13-9-12-24-15-17-29(36)30(24)27)28-20-41(34(4,5)33(28)40-42)19-25-14-16-26(18-21(25)3)35(37,38)39;1-8-19-11-10-12-20(9-2)25(19)38-26(22-14-13-18(3)24-21(22)15-16-35-24)23-17-37(30(6,7)27(23)36-38)28(39)29(4,5)31(32,33)34;1-8-20-11-10-12-21(9-2)26(20)38-27(23-14-13-19(3)25-22(23)15-16-35-25)24-17-37(30(6,7)28(24)36-38)18-29(4,5)31(32,33)34/h9-15,17-19H,7-8,16,20-21H2,1-6H3;8-14,16-18H,6-7,15,19-20H2,1-5H3;10-16,35H,8-9,17H2,1-7H3;10-16,35H,8-9,17-18H2,1-7H3.

What are the key properties of 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole?

3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole has a molecular weight of 2219.15 g/mol, XLogP of 34.29, 23 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;2-(2,6-diethylphenyl)-6,6-dimethyl-3-(3-methyl-1H-inden-4-yl)-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole is sourced from PubChem (CID 157373323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).