N-[4-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide

C131H145Cl2F9N16O5 — CID 157141014

About N-[4-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide

N-[4-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide (PubChem CID 157141014) has the molecular formula C131H145Cl2F9N16O5 and a molecular weight of 2265.60 g/mol. Its IUPAC name is N-[4-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide
• PubChem CID: 157141014
• Molecular Formula: C131H145Cl2F9N16O5
• Molecular Weight: 2265.60 g/mol
• Exact Mass: 2263.08
• IUPAC Name: N-[4-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide
• SMILES: CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1C)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1C)CN(Cc1ccccc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(C(=O)CC(C)C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(Cc1cc(Cl)ccc1Cl)C2(C)C
• InChI: InChI=1S/C35H38F4N4O.C34H39FN4O.C32H32Cl2F2N4O.C30H36F2N4O2/c1-8-23-11-10-12-24(9-2)31(23)43-32(27-17-29(36)30(16-21(27)4)40-22(5)44)28-19-42(34(6,7)33(28)41-43)18-25-13-14-26(15-20(25)3)35(37,38)39;1-8-24-15-12-16-25(9-2)31(24)39-32(27-18-29(35)30(17-22(27)4)36-23(5)40)28-20-38(34(6,7)33(28)37-39)19-26-14-11-10-13-21(26)3;1-6-19-9-8-10-20(7-2)29(19)40-30(23-14-27(36)28(15-26(23)35)37-18(3)41)24-17-39(32(4,5)31(24)38-40)16-21-13-22(33)11-12-25(21)34;1-8-19-11-10-12-20(9-2)27(19)36-28(21-14-24(32)25(15-23(21)31)33-18(5)37)22-16-35(26(38)13-17(3)4)30(6,7)29(22)34-36/h10-17H,8-9,18-19H2,1-7H3,(H,40,44);10-18H,8-9,19-20H2,1-7H3,(H,36,40);8-15H,6-7,16-17H2,1-5H3,(H,37,41);10-12,14-15,17H,8-9,13,16H2,1-7H3,(H,33,37)
• InChIKey: AKENYGZCIVGOHK-UHFFFAOYSA-N
• XLogP: 31.26
• TPSA: 217.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2265.60
LogP ≤ 5	31.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide?

The IUPAC name of N-[4-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide (CID 157141014) is N-[4-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide.

What is the SMILES notation for N-[4-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide?

The canonical SMILES for N-[4-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide is CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1C)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1C)CN(Cc1ccccc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(C(=O)CC(C)C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)c(NC(C)=O)cc1F)CN(Cc1cc(Cl)ccc1Cl)C2(C)C.

What is the InChIKey of N-[4-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide?

The InChIKey is AKENYGZCIVGOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38F4N4O.C34H39FN4O.C32H32Cl2F2N4O.C30H36F2N4O2/c1-8-23-11-10-12-24(9-2)31(23)43-32(27-17-29(36)30(16-21(27)4)40-22(5)44)28-19-42(34(6,7)33(28)41-43)18-25-13-14-26(15-20(25)3)35(37,38)39;1-8-24-15-12-16-25(9-2)31(24)39-32(27-18-29(35)30(17-22(27)4)36-23(5)40)28-20-38(34(6,7)33(28)37-39)19-26-14-11-10-13-21(26)3;1-6-19-9-8-10-20(7-2)29(19)40-30(23-14-27(36)28(15-26(23)35)37-18(3)41)24-17-39(32(4,5)31(24)38-40)16-21-13-22(33)11-12-25(21)34;1-8-19-11-10-12-20(9-2)27(19)36-28(21-14-24(32)25(15-23(21)31)33-18(5)37)22-16-35(26(38)13-17(3)4)30(6,7)29(22)34-36/h10-17H,8-9,18-19H2,1-7H3,(H,40,44);10-18H,8-9,19-20H2,1-7H3,(H,36,40);8-15H,6-7,16-17H2,1-5H3,(H,37,41);10-12,14-15,17H,8-9,13,16H2,1-7H3,(H,33,37).

What are the key properties of N-[4-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide?

N-[4-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide has a molecular weight of 2265.60 g/mol, XLogP of 31.26, 28 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[(2,5-dichlorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3-methylbutanoyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide;N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]acetamide is sourced from PubChem (CID 157141014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).