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

C51H34F3N11O6 — CID 160639965

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

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 160639965) has the molecular formula C51H34F3N11O6 and a molecular weight of 953.90 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

• Compound Name: 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
• PubChem CID: 160639965
• Molecular Formula: C51H34F3N11O6
• Molecular Weight: 953.90 g/mol
• Exact Mass: 953.26
• IUPAC Name: 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
• SMILES: Cn1cc(-c2ccnc3c2C(=O)NC3)c(-c2ccc(F)cc2)n1.Cn1cc(-c2ccnc3c2C(=O)NC3=O)c(-c2ccc(F)cc2)n1.Cn1cc(-c2ccnc3c2C(=O)OC3=O)c(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C17H11FN4O2.C17H13FN4O.C17H10FN3O3/c1-22-8-12(14(21-22)9-2-4-10(18)5-3-9)11-6-7-19-15-13(11)16(23)20-17(15)24;1-22-9-13(16(21-22)10-2-4-11(18)5-3-10)12-6-7-19-14-8-20-17(23)15(12)14;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/h2-8H,1H3,(H,20,23,24);2-7,9H,8H2,1H3,(H,20,23);2-8H,1H3
• InChIKey: RJAVRWRYRVGXOU-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 210.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	953.90
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	2
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 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione?

The IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione (CID 160639965) is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione.

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

The canonical SMILES for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione is Cn1cc(-c2ccnc3c2C(=O)NC3)c(-c2ccc(F)cc2)n1.Cn1cc(-c2ccnc3c2C(=O)NC3=O)c(-c2ccc(F)cc2)n1.Cn1cc(-c2ccnc3c2C(=O)OC3=O)c(-c2ccc(F)cc2)n1.

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

The InChIKey is RJAVRWRYRVGXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O2.C17H13FN4O.C17H10FN3O3/c1-22-8-12(14(21-22)9-2-4-10(18)5-3-9)11-6-7-19-15-13(11)16(23)20-17(15)24;1-22-9-13(16(21-22)10-2-4-11(18)5-3-10)12-6-7-19-14-8-20-17(23)15(12)14;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/h2-8H,1H3,(H,20,23,24);2-7,9H,8H2,1H3,(H,20,23);2-8H,1H3.

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

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 953.90 g/mol, XLogP of 7.30, 6 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 160639965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).