4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarbonitrile;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylic acid

C68H44F4N14O9 — CID 158696417

About 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarbonitrile;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylic acid

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarbonitrile;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylic acid (PubChem CID 158696417) has the molecular formula C68H44F4N14O9 and a molecular weight of 1277.18 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarbonitrile;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylic acid.

Molecular Properties

• Compound Name: 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarbonitrile;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylic acid
• PubChem CID: 158696417
• Molecular Formula: C68H44F4N14O9
• Molecular Weight: 1277.18 g/mol
• Exact Mass: 1276.34
• IUPAC Name: 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarbonitrile;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylic acid
• SMILES: Cn1cc(-c2ccnc(C#N)c2C#N)c(-c2ccc(F)cc2)n1.Cn1cc(-c2ccnc(C(=O)O)c2C(=O)O)c(-c2ccc(F)cc2)n1.Cn1cc(-c2ccnc3c2C(=O)OC3)c(-c2ccc(F)cc2)n1.Cn1cc(-c2ccnc3c2C(=O)OC3=O)c(-c2ccc(F)cc2)n1
• InChI: InChI=1S/C17H10FN5.C17H12FN3O4.C17H10FN3O3.C17H12FN3O2/c1-23-10-15(13-6-7-21-16(9-20)14(13)8-19)17(22-23)11-2-4-12(18)5-3-11;1-21-8-12(14(20-21)9-2-4-10(18)5-3-9)11-6-7-19-15(17(24)25)13(11)16(22)23;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;1-21-8-13(16(20-21)10-2-4-11(18)5-3-10)12-6-7-19-14-9-23-17(22)15(12)14/h2-7,10H,1H3;2-8H,1H3,(H,22,23)(H,24,25);2-8H,1H3;2-8H,9H2,1H3
• InChIKey: IGZSJCYXRKRQBL-UHFFFAOYSA-N
• XLogP: 11.27
• TPSA: 314.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1277.18
LogP ≤ 5	11.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarbonitrile;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylic acid?

The IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarbonitrile;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylic acid (CID 158696417) is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarbonitrile;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylic acid.

What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarbonitrile;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylic acid?

The canonical SMILES for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarbonitrile;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylic acid is Cn1cc(-c2ccnc(C#N)c2C#N)c(-c2ccc(F)cc2)n1.Cn1cc(-c2ccnc(C(=O)O)c2C(=O)O)c(-c2ccc(F)cc2)n1.Cn1cc(-c2ccnc3c2C(=O)OC3)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]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarbonitrile;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylic acid?

The InChIKey is IGZSJCYXRKRQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN5.C17H12FN3O4.C17H10FN3O3.C17H12FN3O2/c1-23-10-15(13-6-7-21-16(9-20)14(13)8-19)17(22-23)11-2-4-12(18)5-3-11;1-21-8-12(14(20-21)9-2-4-10(18)5-3-9)11-6-7-19-15(17(24)25)13(11)16(22)23;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;1-21-8-13(16(20-21)10-2-4-11(18)5-3-10)12-6-7-19-14-9-23-17(22)15(12)14/h2-7,10H,1H3;2-8H,1H3,(H,22,23)(H,24,25);2-8H,1H3;2-8H,9H2,1H3.

What are the key properties of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarbonitrile;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylic acid?

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarbonitrile;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylic acid has a molecular weight of 1277.18 g/mol, XLogP of 11.27, 10 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]furo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-7H-furo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarbonitrile;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 158696417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).