3-methyl-6-[2-methyl-4-(2-methylphenyl)phenyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-6-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-5-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione;3-methyl-5-[5-(2-methylphenyl)pyrimidin-2-yl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione

C111H106N16O6 — CID 91608831

About 3-methyl-6-[2-methyl-4-(2-methylphenyl)phenyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-6-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-5-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione;3-methyl-5-[5-(2-methylphenyl)pyrimidin-2-yl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione

3-methyl-6-[2-methyl-4-(2-methylphenyl)phenyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-6-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-5-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione;3-methyl-5-[5-(2-methylphenyl)pyrimidin-2-yl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione (PubChem CID 91608831) has the molecular formula C111H106N16O6 and a molecular weight of 1760.17 g/mol. Its IUPAC name is 3-methyl-6-[2-methyl-4-(2-methylphenyl)phenyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-6-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-5-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione;3-methyl-5-[5-(2-methylphenyl)pyrimidin-2-yl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione.

Molecular Properties

• Compound Name: 3-methyl-6-[2-methyl-4-(2-methylphenyl)phenyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-6-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-5-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione;3-methyl-5-[5-(2-methylphenyl)pyrimidin-2-yl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione
• PubChem CID: 91608831
• Molecular Formula: C111H106N16O6
• Molecular Weight: 1760.17 g/mol
• Exact Mass: 1758.85
• IUPAC Name: 3-methyl-6-[2-methyl-4-(2-methylphenyl)phenyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-6-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-5-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione;3-methyl-5-[5-(2-methylphenyl)pyrimidin-2-yl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione
• SMILES: Cc1cc(C)c(-n2nc(C)c3c2C(=O)N(c2ccc(-c4ccccc4C)cc2C)CC3)cc1C.Cc1cc(C)c(-n2nc(C)c3c2C(=O)N(c2ccc(-c4ccccc4C)cn2)C3=O)cc1C.Cc1cc(C)c(-n2nc(C)c3c2C(=O)N(c2ccc(-c4ccccc4C)cn2)CC3)cc1C.Cc1cc(C)c(-n2nc(C)c3c2C(=O)N(c2ncc(-c4ccccc4C)cn2)C3=O)cc1C
• InChI: InChI=1S/C30H31N3O.C28H28N4O.C27H24N4O2.C26H23N5O2/c1-18-9-7-8-10-25(18)24-11-12-27(22(5)16-24)32-14-13-26-23(6)31-33(29(26)30(32)34)28-17-20(3)19(2)15-21(28)4;1-17-8-6-7-9-23(17)22-10-11-26(29-16-22)31-13-12-24-21(5)30-32(27(24)28(31)33)25-15-19(3)18(2)14-20(25)4;1-15-8-6-7-9-21(15)20-10-11-23(28-14-20)30-26(32)24-19(5)29-31(25(24)27(30)33)22-13-17(3)16(2)12-18(22)4;1-14-8-6-7-9-20(14)19-12-27-26(28-13-19)30-24(32)22-18(5)29-31(23(22)25(30)33)21-11-16(3)15(2)10-17(21)4/h7-12,15-17H,13-14H2,1-6H3;6-11,14-16H,12-13H2,1-5H3;6-14H,1-5H3;6-13H,1-5H3
• InChIKey: DUULUXPEGMDYFN-UHFFFAOYSA-N
• XLogP: 22.22
• TPSA: 238.22 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1760.17
LogP ≤ 5	22.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-methyl-4-(2-methylphenyl)phenyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-6-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-5-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione;3-methyl-5-[5-(2-methylphenyl)pyrimidin-2-yl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione?

The IUPAC name of 3-methyl-6-[2-methyl-4-(2-methylphenyl)phenyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-6-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-5-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione;3-methyl-5-[5-(2-methylphenyl)pyrimidin-2-yl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione (CID 91608831) is 3-methyl-6-[2-methyl-4-(2-methylphenyl)phenyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-6-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-5-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione;3-methyl-5-[5-(2-methylphenyl)pyrimidin-2-yl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione.

What is the SMILES notation for 3-methyl-6-[2-methyl-4-(2-methylphenyl)phenyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-6-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-5-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione;3-methyl-5-[5-(2-methylphenyl)pyrimidin-2-yl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione?

The canonical SMILES for 3-methyl-6-[2-methyl-4-(2-methylphenyl)phenyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-6-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-5-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione;3-methyl-5-[5-(2-methylphenyl)pyrimidin-2-yl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione is Cc1cc(C)c(-n2nc(C)c3c2C(=O)N(c2ccc(-c4ccccc4C)cc2C)CC3)cc1C.Cc1cc(C)c(-n2nc(C)c3c2C(=O)N(c2ccc(-c4ccccc4C)cn2)C3=O)cc1C.Cc1cc(C)c(-n2nc(C)c3c2C(=O)N(c2ccc(-c4ccccc4C)cn2)CC3)cc1C.Cc1cc(C)c(-n2nc(C)c3c2C(=O)N(c2ncc(-c4ccccc4C)cn2)C3=O)cc1C.

What is the InChIKey of 3-methyl-6-[2-methyl-4-(2-methylphenyl)phenyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-6-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-5-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione;3-methyl-5-[5-(2-methylphenyl)pyrimidin-2-yl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione?

The InChIKey is DUULUXPEGMDYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O.C28H28N4O.C27H24N4O2.C26H23N5O2/c1-18-9-7-8-10-25(18)24-11-12-27(22(5)16-24)32-14-13-26-23(6)31-33(29(26)30(32)34)28-17-20(3)19(2)15-21(28)4;1-17-8-6-7-9-23(17)22-10-11-26(29-16-22)31-13-12-24-21(5)30-32(27(24)28(31)33)25-15-19(3)18(2)14-20(25)4;1-15-8-6-7-9-21(15)20-10-11-23(28-14-20)30-26(32)24-19(5)29-31(25(24)27(30)33)22-13-17(3)16(2)12-18(22)4;1-14-8-6-7-9-20(14)19-12-27-26(28-13-19)30-24(32)22-18(5)29-31(23(22)25(30)33)21-11-16(3)15(2)10-17(21)4/h7-12,15-17H,13-14H2,1-6H3;6-11,14-16H,12-13H2,1-5H3;6-14H,1-5H3;6-13H,1-5H3.

What are the key properties of 3-methyl-6-[2-methyl-4-(2-methylphenyl)phenyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-6-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-5-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione;3-methyl-5-[5-(2-methylphenyl)pyrimidin-2-yl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione?

3-methyl-6-[2-methyl-4-(2-methylphenyl)phenyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-6-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-5-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione;3-methyl-5-[5-(2-methylphenyl)pyrimidin-2-yl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione has a molecular weight of 1760.17 g/mol, XLogP of 22.22, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-6-[2-methyl-4-(2-methylphenyl)phenyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-6-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;3-methyl-5-[5-(2-methylphenyl)-2-pyridinyl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione;3-methyl-5-[5-(2-methylphenyl)pyrimidin-2-yl]-1-(2,4,5-trimethylphenyl)pyrrolo[3,4-d]pyrazole-4,6-dione is sourced from PubChem (CID 91608831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).