2-chloro-1-morpholin-4-ylethanone;2-(6-fluoro-1H-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-carbaldehyde

C52H63ClF2N12O8Si2 — CID 159341929

About 2-chloro-1-morpholin-4-ylethanone;2-(6-fluoro-1H-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-carbaldehyde

2-chloro-1-morpholin-4-ylethanone;2-(6-fluoro-1H-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-carbaldehyde (PubChem CID 159341929) has the molecular formula C52H63ClF2N12O8Si2 and a molecular weight of 1113.77 g/mol. Its IUPAC name is 2-chloro-1-morpholin-4-ylethanone;2-(6-fluoro-1H-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-carbaldehyde.

Molecular Properties

• Compound Name: 2-chloro-1-morpholin-4-ylethanone;2-(6-fluoro-1H-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-carbaldehyde
• PubChem CID: 159341929
• Molecular Formula: C52H63ClF2N12O8Si2
• Molecular Weight: 1113.77 g/mol
• Exact Mass: 1112.41
• IUPAC Name: 2-chloro-1-morpholin-4-ylethanone;2-(6-fluoro-1H-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-carbaldehyde
• SMILES: C[Si](C)(C)CCOCn1cc(C=O)c2nc(-c3n[nH]c4cc(F)ccc34)cnc21.C[Si](C)(C)CCOCn1cc(C=O)c2nc(-c3nn(CC(=O)N4CCOCC4)c4cc(F)ccc34)cnc21.O=C(CCl)N1CCOCC1
• InChI: InChI=1S/C26H31FN6O4Si.C20H22FN5O2Si.C6H10ClNO2/c1-38(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;1-29(2,3)7-6-28-12-26-10-13(11-27)18-20(26)22-9-17(23-18)19-15-5-4-14(21)8-16(15)24-25-19;7-5-6(9)8-1-3-10-4-2-8/h4-5,12-14,16H,6-11,15,17H2,1-3H3;4-5,8-11H,6-7,12H2,1-3H3,(H,24,25);1-5H2
• InChIKey: LGFZRRWACAFBAZ-UHFFFAOYSA-N
• XLogP: 7.89
• TPSA: 219.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1113.77
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-morpholin-4-ylethanone;2-(6-fluoro-1H-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-carbaldehyde?

The IUPAC name of 2-chloro-1-morpholin-4-ylethanone;2-(6-fluoro-1H-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-carbaldehyde (CID 159341929) is 2-chloro-1-morpholin-4-ylethanone;2-(6-fluoro-1H-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-carbaldehyde.

What is the SMILES notation for 2-chloro-1-morpholin-4-ylethanone;2-(6-fluoro-1H-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-carbaldehyde?

The canonical SMILES for 2-chloro-1-morpholin-4-ylethanone;2-(6-fluoro-1H-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-carbaldehyde is C[Si](C)(C)CCOCn1cc(C=O)c2nc(-c3n[nH]c4cc(F)ccc34)cnc21.C[Si](C)(C)CCOCn1cc(C=O)c2nc(-c3nn(CC(=O)N4CCOCC4)c4cc(F)ccc34)cnc21.O=C(CCl)N1CCOCC1.

What is the InChIKey of 2-chloro-1-morpholin-4-ylethanone;2-(6-fluoro-1H-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-carbaldehyde?

The InChIKey is LGFZRRWACAFBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O4Si.C20H22FN5O2Si.C6H10ClNO2/c1-38(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;1-29(2,3)7-6-28-12-26-10-13(11-27)18-20(26)22-9-17(23-18)19-15-5-4-14(21)8-16(15)24-25-19;7-5-6(9)8-1-3-10-4-2-8/h4-5,12-14,16H,6-11,15,17H2,1-3H3;4-5,8-11H,6-7,12H2,1-3H3,(H,24,25);1-5H2.

What are the key properties of 2-chloro-1-morpholin-4-ylethanone;2-(6-fluoro-1H-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-carbaldehyde?

2-chloro-1-morpholin-4-ylethanone;2-(6-fluoro-1H-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-carbaldehyde has a molecular weight of 1113.77 g/mol, XLogP of 7.89, 17 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1-morpholin-4-ylethanone;2-(6-fluoro-1H-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-carbaldehyde is sourced from PubChem (CID 159341929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).