potassium;2,2-dimethylpropanoyl chloride;1-[5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;2-methylpropan-2-olate;oxolane

C59H71ClF2KN5O6 — CID 160762453

About potassium;2,2-dimethylpropanoyl chloride;1-[5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;2-methylpropan-2-olate;oxolane

potassium;2,2-dimethylpropanoyl chloride;1-[5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;2-methylpropan-2-olate;oxolane (PubChem CID 160762453) has the molecular formula C59H71ClF2KN5O6 and a molecular weight of 1058.79 g/mol. Its IUPAC name is potassium;2,2-dimethylpropanoyl chloride;1-[5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;2-methylpropan-2-olate;oxolane.

Molecular Properties

• Compound Name: potassium;2,2-dimethylpropanoyl chloride;1-[5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;2-methylpropan-2-olate;oxolane
• PubChem CID: 160762453
• Molecular Formula: C59H71ClF2KN5O6
• Molecular Weight: 1058.79 g/mol
• Exact Mass: 1057.47
• IUPAC Name: potassium;2,2-dimethylpropanoyl chloride;1-[5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;2-methylpropan-2-olate;oxolane
• SMILES: C1CCOC1.CC(C)(C)C(=O)Cl.CC(C)(C)C(=O)n1ncc2cc3c(cc(C4CCOCC4)n3-c3ccc(F)cc3)cc21.CC(C)(C)[O-].Fc1ccc(-n2c(C3CCOCC3)cc3cc4c(cc32)C=NC4)cc1.[K+]
• InChI: InChI=1S/C25H26FN3O2.C21H19FN2O.C5H9ClO.C4H8O.C4H9O.K/c1-25(2,3)24(30)29-23-13-17-12-21(16-8-10-31-11-9-16)28(20-6-4-19(26)5-7-20)22(17)14-18(23)15-27-29;22-18-1-3-19(4-2-18)24-20(14-5-7-25-8-6-14)10-15-9-16-12-23-13-17(16)11-21(15)24;1-5(2,3)4(6)7;1-2-4-5-3-1;1-4(2,3)5;/h4-7,12-16H,8-11H2,1-3H3;1-4,9-11,13-14H,5-8,12H2;1-3H3;1-4H2;1-3H3;/q;;;;-1;+1
• InChIKey: RYFYFPPKFHFUGN-UHFFFAOYSA-N
• XLogP: 10.04
• TPSA: 124.93 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1058.79
LogP ≤ 5	10.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;2,2-dimethylpropanoyl chloride;1-[5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;2-methylpropan-2-olate;oxolane?

The IUPAC name of potassium;2,2-dimethylpropanoyl chloride;1-[5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;2-methylpropan-2-olate;oxolane (CID 160762453) is potassium;2,2-dimethylpropanoyl chloride;1-[5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;2-methylpropan-2-olate;oxolane.

What is the SMILES notation for potassium;2,2-dimethylpropanoyl chloride;1-[5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;2-methylpropan-2-olate;oxolane?

The canonical SMILES for potassium;2,2-dimethylpropanoyl chloride;1-[5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;2-methylpropan-2-olate;oxolane is C1CCOC1.CC(C)(C)C(=O)Cl.CC(C)(C)C(=O)n1ncc2cc3c(cc(C4CCOCC4)n3-c3ccc(F)cc3)cc21.CC(C)(C)[O-].Fc1ccc(-n2c(C3CCOCC3)cc3cc4c(cc32)C=NC4)cc1.[K+].

What is the InChIKey of potassium;2,2-dimethylpropanoyl chloride;1-[5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;2-methylpropan-2-olate;oxolane?

The InChIKey is RYFYFPPKFHFUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2.C21H19FN2O.C5H9ClO.C4H8O.C4H9O.K/c1-25(2,3)24(30)29-23-13-17-12-21(16-8-10-31-11-9-16)28(20-6-4-19(26)5-7-20)22(17)14-18(23)15-27-29;22-18-1-3-19(4-2-18)24-20(14-5-7-25-8-6-14)10-15-9-16-12-23-13-17(16)11-21(15)24;1-5(2,3)4(6)7;1-2-4-5-3-1;1-4(2,3)5;/h4-7,12-16H,8-11H2,1-3H3;1-4,9-11,13-14H,5-8,12H2;1-3H3;1-4H2;1-3H3;/q;;;;-1;+1.

What are the key properties of potassium;2,2-dimethylpropanoyl chloride;1-[5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;2-methylpropan-2-olate;oxolane?

potassium;2,2-dimethylpropanoyl chloride;1-[5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;2-methylpropan-2-olate;oxolane has a molecular weight of 1058.79 g/mol, XLogP of 10.04, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2,2-dimethylpropanoyl chloride;1-[5-(4-fluorophenyl)-6-(oxan-4-yl)pyrrolo[2,3-f]indazol-1-yl]-2,2-dimethylpropan-1-one;1-(4-fluorophenyl)-2-(oxan-4-yl)-5H-pyrrolo[3,4-f]indole;2-methylpropan-2-olate;oxolane is sourced from PubChem (CID 160762453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).