6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione;6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione

C65H46F3N11O6 — CID 159622984

About 6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione;6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione

6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione;6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione (PubChem CID 159622984) has the molecular formula C65H46F3N11O6 and a molecular weight of 1134.15 g/mol. Its IUPAC name is 6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione;6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione.

Molecular Properties

• Compound Name: 6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione;6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione
• PubChem CID: 159622984
• Molecular Formula: C65H46F3N11O6
• Molecular Weight: 1134.15 g/mol
• Exact Mass: 1133.36
• IUPAC Name: 6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione;6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione
• SMILES: Cn1cc(-c2ccnc3c2C(=O)N(Cc2ccccc2)C3)c(-c2ccc(F)cc2)n1.Cn1cc(-c2ccnc3c2C(=O)N(Cc2ccccc2)C3=O)c(-c2ccc(F)cc2)n1.Cn1cc(-c2ccnc3c2C(=O)OC3=O)c(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C24H17FN4O2.C24H19FN4O.C17H10FN3O3/c1-28-14-19(21(27-28)16-7-9-17(25)10-8-16)18-11-12-26-22-20(18)23(30)29(24(22)31)13-15-5-3-2-4-6-15;1-28-14-20(23(27-28)17-7-9-18(25)10-8-17)19-11-12-26-21-15-29(24(30)22(19)21)13-16-5-3-2-4-6-16;1-21-8-12(14(20-21)9-2-4-10(18)5-3-9)11-6-7-19-15-13(11)16(22)24-17(15)23/h2-12,14H,13H2,1H3;2-12,14H,13,15H2,1H3;2-8H,1H3
• InChIKey: MOCYXCJCRRAZOE-UHFFFAOYSA-N
• XLogP: 11.13
• TPSA: 193.19 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1134.15
LogP ≤ 5	11.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione;6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione?

The IUPAC name of 6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione;6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione (CID 159622984) is 6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione;6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione.

What is the SMILES notation for 6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione;6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione?

The canonical SMILES for 6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione;6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione is Cn1cc(-c2ccnc3c2C(=O)N(Cc2ccccc2)C3)c(-c2ccc(F)cc2)n1.Cn1cc(-c2ccnc3c2C(=O)N(Cc2ccccc2)C3=O)c(-c2ccc(F)cc2)n1.Cn1cc(-c2ccnc3c2C(=O)OC3=O)c(-c2ccc(F)cc2)n1.

What is the InChIKey of 6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione;6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione?

The InChIKey is MOCYXCJCRRAZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2.C24H19FN4O.C17H10FN3O3/c1-28-14-19(21(27-28)16-7-9-17(25)10-8-16)18-11-12-26-22-20(18)23(30)29(24(22)31)13-15-5-3-2-4-6-15;1-28-14-20(23(27-28)17-7-9-18(25)10-8-17)19-11-12-26-21-15-29(24(30)22(19)21)13-16-5-3-2-4-6-16;1-21-8-12(14(20-21)9-2-4-10(18)5-3-9)11-6-7-19-15-13(11)16(22)24-17(15)23/h2-12,14H,13H2,1H3;2-12,14H,13,15H2,1H3;2-8H,1H3.

What are the key properties of 6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione;6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione?

6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione;6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione has a molecular weight of 1134.15 g/mol, XLogP of 11.13, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione;6-benzyl-4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 159622984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).