dipotassium;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methylpyrrolo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylate

C53H38F3K2N11O7 — CID 159303795

About dipotassium;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methylpyrrolo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylate

dipotassium;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methylpyrrolo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylate (PubChem CID 159303795) has the molecular formula C53H38F3K2N11O7 and a molecular weight of 1076.15 g/mol. Its IUPAC name is dipotassium;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methylpyrrolo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylate.

Molecular Properties

• Compound Name: dipotassium;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methylpyrrolo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylate
• PubChem CID: 159303795
• Molecular Formula: C53H38F3K2N11O7
• Molecular Weight: 1076.15 g/mol
• Exact Mass: 1075.22
• IUPAC Name: dipotassium;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methylpyrrolo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylate
• SMILES: CN1C(=O)c2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2C1=O.CN1Cc2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2C1=O.Cn1cc(-c2ccnc(C(=O)[O-])c2C(=O)[O-])c(-c2ccc(F)cc2)n1.[K+].[K+]
• InChI: InChI=1S/C18H13FN4O2.C18H15FN4O.C17H12FN3O4.2K/c1-22-9-13(15(21-22)10-3-5-11(19)6-4-10)12-7-8-20-16-14(12)17(24)23(2)18(16)25;1-22-10-15-16(18(22)24)13(7-8-20-15)14-9-23(2)21-17(14)11-3-5-12(19)6-4-11;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;;/h3-9H,1-2H3;3-9H,10H2,1-2H3;2-8H,1H3,(H,22,23)(H,24,25);;/q;;;2*+1/p-2
• InChIKey: LBQSXODCEKHOAM-UHFFFAOYSA-L
• XLogP: -0.59
• TPSA: 230.08 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1076.15
LogP ≤ 5	-0.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dipotassium;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methylpyrrolo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylate?

The IUPAC name of dipotassium;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methylpyrrolo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylate (CID 159303795) is dipotassium;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methylpyrrolo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylate.

What is the SMILES notation for dipotassium;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methylpyrrolo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylate?

The canonical SMILES for dipotassium;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methylpyrrolo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylate is CN1C(=O)c2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2C1=O.CN1Cc2nccc(-c3cn(C)nc3-c3ccc(F)cc3)c2C1=O.Cn1cc(-c2ccnc(C(=O)[O-])c2C(=O)[O-])c(-c2ccc(F)cc2)n1.[K+].[K+].

What is the InChIKey of dipotassium;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methylpyrrolo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylate?

The InChIKey is LBQSXODCEKHOAM-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H13FN4O2.C18H15FN4O.C17H12FN3O4.2K/c1-22-9-13(15(21-22)10-3-5-11(19)6-4-10)12-7-8-20-16-14(12)17(24)23(2)18(16)25;1-22-10-15-16(18(22)24)13(7-8-20-15)14-9-23(2)21-17(14)11-3-5-12(19)6-4-11;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;;/h3-9H,1-2H3;3-9H,10H2,1-2H3;2-8H,1H3,(H,22,23)(H,24,25);;/q;;;2*+1/p-2.

What are the key properties of dipotassium;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methylpyrrolo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylate?

dipotassium;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methylpyrrolo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylate has a molecular weight of 1076.15 g/mol, XLogP of -0.59, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methylpyrrolo[3,4-b]pyridine-5,7-dione;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6-methyl-7H-pyrrolo[3,4-b]pyridin-5-one;4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]pyridine-2,3-dicarboxylate is sourced from PubChem (CID 159303795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).