2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C52H62F2N12O9Si2 — CID 157125391

About 2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 157125391) has the molecular formula C52H62F2N12O9Si2 and a molecular weight of 1093.31 g/mol. Its IUPAC name is 2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

• Compound Name: 2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• PubChem CID: 157125391
• Molecular Formula: C52H62F2N12O9Si2
• Molecular Weight: 1093.31 g/mol
• Exact Mass: 1092.43
• IUPAC Name: 2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• SMILES: C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3nn(CC(=O)N4CCOCC4)c4cc(F)ccc34)cnc21.C[Si](C)(C)CCOCn1cc(C=O)c2nc(-c3nn(CC(=O)N4CCOCC4)c4cc(F)ccc34)cnc21
• InChI: InChI=1S/C26H31FN6O5Si.C26H31FN6O4Si/c1-39(2,3)11-10-38-16-32-14-19(26(35)36)24-25(32)28-13-20(29-24)23-18-5-4-17(27)12-21(18)33(30-23)15-22(34)31-6-8-37-9-7-31;1-38(2,3)11-10-37-17-32-14-18(16-34)24-26(32)28-13-21(29-24)25-20-5-4-19(27)12-22(20)33(30-25)15-23(35)31-6-8-36-9-7-31/h4-5,12-14H,6-11,15-16H2,1-3H3,(H,35,36);4-5,12-14,16H,6-11,15,17H2,1-3H3
• InChIKey: AILJNVVLRIMLFP-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 228.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1093.31
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

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-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The IUPAC name of 2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 157125391) is 2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

What is the SMILES notation for 2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The canonical SMILES for 2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3nn(CC(=O)N4CCOCC4)c4cc(F)ccc34)cnc21.C[Si](C)(C)CCOCn1cc(C=O)c2nc(-c3nn(CC(=O)N4CCOCC4)c4cc(F)ccc34)cnc21.

What is the InChIKey of 2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The InChIKey is AILJNVVLRIMLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O5Si.C26H31FN6O4Si/c1-39(2,3)11-10-38-16-32-14-19(26(35)36)24-25(32)28-13-20(29-24)23-18-5-4-17(27)12-21(18)33(30-23)15-22(34)31-6-8-37-9-7-31;1-38(2,3)11-10-37-17-32-14-18(16-34)24-26(32)28-13-21(29-24)25-20-5-4-19(27)12-22(20)33(30-25)15-23(35)31-6-8-36-9-7-31/h4-5,12-14H,6-11,15-16H2,1-3H3,(H,35,36);4-5,12-14,16H,6-11,15,17H2,1-3H3.

What are the key properties of 2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 1093.31 g/mol, XLogP of 7.03, 18 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 157125391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).