1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid

C22H24N6O4 — CID 171713513

About 1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid

1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid (PubChem CID 171713513) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid.

Molecular Properties

• Compound Name: 1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
• PubChem CID: 171713513
• Molecular Formula: C22H24N6O4
• Molecular Weight: 436.47 g/mol
• Exact Mass: 436.19
• IUPAC Name: 1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
• SMILES: CCc1cc(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2nccn2C)n[nH]1.O=CO
• InChI: InChI=1S/C21H22N6O2.CH2O2/c1-3-13-12-16(25-24-13)19(28)27-10-8-21(17(27)18-22-9-11-26(18)2)14-6-4-5-7-15(14)23-20(21)29;2-1-3/h4-7,9,11-12,17H,3,8,10H2,1-2H3,(H,23,29)(H,24,25);1H,(H,2,3)
• InChIKey: GPSZPIXTKJBVLK-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 133.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.47
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid?

The IUPAC name of 1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid (CID 171713513) is 1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid.

What is the SMILES notation for 1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid?

The canonical SMILES for 1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid is CCc1cc(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2nccn2C)n[nH]1.O=CO.

What is the InChIKey of 1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid?

The InChIKey is GPSZPIXTKJBVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2.CH2O2/c1-3-13-12-16(25-24-13)19(28)27-10-8-21(17(27)18-22-9-11-26(18)2)14-6-4-5-7-15(14)23-20(21)29;2-1-3/h4-7,9,11-12,17H,3,8,10H2,1-2H3,(H,23,29)(H,24,25);1H,(H,2,3).

What are the key properties of 1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid?

1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid has a molecular weight of 436.47 g/mol, XLogP of 1.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(5-ethyl-1H-pyrazole-3-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid is sourced from PubChem (CID 171713513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).