2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C23H28ClFN6O2Si — CID 71280686

About 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71280686) has the molecular formula C23H28ClFN6O2Si and a molecular weight of 503.05 g/mol. Its IUPAC name is 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71280686
• Molecular Formula: C23H28ClFN6O2Si
• Molecular Weight: 503.05 g/mol
• Exact Mass: 502.17
• IUPAC Name: 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4cc(Cl)cc(F)c34)nc12
• InChI: InChI=1S/C23H28ClFN6O2Si/c1-5-6-26-23(32)15-12-31(13-33-7-8-34(2,3)4)22-20(15)28-18(11-27-22)21-19-16(25)9-14(24)10-17(19)29-30-21/h9-12H,5-8,13H2,1-4H3,(H,26,32)(H,29,30)
• InChIKey: SGNUVFFRRXXVQB-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 97.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.05
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'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-chloro-4-fluoro-1H-indazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71280686) is 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4cc(Cl)cc(F)c34)nc12.

What is the InChIKey of 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is SGNUVFFRRXXVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN6O2Si/c1-5-6-26-23(32)15-12-31(13-33-7-8-34(2,3)4)22-20(15)28-18(11-27-22)21-19-16(25)9-14(24)10-17(19)29-30-21/h9-12H,5-8,13H2,1-4H3,(H,26,32)(H,29,30).

What are the key properties of 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 503.05 g/mol, XLogP of 5.22, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-4-fluoro-1H-indazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71280686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).