2-(4,6-difluoro-1H-indazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(4,6-difluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

C41H44F4N10O4Si2 — CID 160518654

About 2-(4,6-difluoro-1H-indazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(4,6-difluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

2-(4,6-difluoro-1H-indazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(4,6-difluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (PubChem CID 160518654) has the molecular formula C41H44F4N10O4Si2 and a molecular weight of 873.03 g/mol. Its IUPAC name is 2-(4,6-difluoro-1H-indazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(4,6-difluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde.

Molecular Properties

• Compound Name: 2-(4,6-difluoro-1H-indazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(4,6-difluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
• PubChem CID: 160518654
• Molecular Formula: C41H44F4N10O4Si2
• Molecular Weight: 873.03 g/mol
• Exact Mass: 872.30
• IUPAC Name: 2-(4,6-difluoro-1H-indazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(4,6-difluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
• SMILES: C[Si](C)(C)CCOCn1cc(C=O)c2nc(-c3n[nH]c4cc(F)cc(F)c34)cnc21.Cn1nc(-c2cnc3c(n2)c(C=O)cn3COCC[Si](C)(C)C)c2c(F)cc(F)cc21
• InChI: InChI=1S/C21H23F2N5O2Si.C20H21F2N5O2Si/c1-27-17-8-14(22)7-15(23)18(17)20(26-27)16-9-24-21-19(25-16)13(11-29)10-28(21)12-30-5-6-31(2,3)4;1-30(2,3)5-4-29-11-27-9-12(10-28)18-20(27)23-8-16(24-18)19-17-14(22)6-13(21)7-15(17)25-26-19/h7-11H,5-6,12H2,1-4H3;6-10H,4-5,11H2,1-3H3,(H,25,26)
• InChIKey: QTZGIPKBFWXQBD-UHFFFAOYSA-N
• XLogP: 8.77
• TPSA: 160.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	873.03
LogP ≤ 5	8.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoro-1H-indazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(4,6-difluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?

The IUPAC name of 2-(4,6-difluoro-1H-indazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(4,6-difluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (CID 160518654) is 2-(4,6-difluoro-1H-indazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(4,6-difluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde.

What is the SMILES notation for 2-(4,6-difluoro-1H-indazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(4,6-difluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?

The canonical SMILES for 2-(4,6-difluoro-1H-indazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(4,6-difluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is C[Si](C)(C)CCOCn1cc(C=O)c2nc(-c3n[nH]c4cc(F)cc(F)c34)cnc21.Cn1nc(-c2cnc3c(n2)c(C=O)cn3COCC[Si](C)(C)C)c2c(F)cc(F)cc21.

What is the InChIKey of 2-(4,6-difluoro-1H-indazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(4,6-difluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?

The InChIKey is QTZGIPKBFWXQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N5O2Si.C20H21F2N5O2Si/c1-27-17-8-14(22)7-15(23)18(17)20(26-27)16-9-24-21-19(25-16)13(11-29)10-28(21)12-30-5-6-31(2,3)4;1-30(2,3)5-4-29-11-27-9-12(10-28)18-20(27)23-8-16(24-18)19-17-14(22)6-13(21)7-15(17)25-26-19/h7-11H,5-6,12H2,1-4H3;6-10H,4-5,11H2,1-3H3,(H,25,26).

What are the key properties of 2-(4,6-difluoro-1H-indazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(4,6-difluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?

2-(4,6-difluoro-1H-indazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(4,6-difluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde has a molecular weight of 873.03 g/mol, XLogP of 8.77, 14 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,6-difluoro-1H-indazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(4,6-difluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is sourced from PubChem (CID 160518654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).