2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C26H34F2N6O4Si — CID 71280236

About 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71280236) has the molecular formula C26H34F2N6O4Si and a molecular weight of 560.68 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71280236
• Molecular Formula: C26H34F2N6O4Si
• Molecular Weight: 560.68 g/mol
• Exact Mass: 560.24
• IUPAC Name: 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: Cn1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)CO)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21
• InChI: InChI=1S/C26H34F2N6O4Si/c1-26(2,14-35)31-24(36)18-13-34(15-37-9-10-39(4,5)6)23-22(18)30-19(12-29-23)21-17-11-16(38-25(27)28)7-8-20(17)33(3)32-21/h7-8,11-13,25,35H,9-10,14-15H2,1-6H3,(H,31,36)
• InChIKey: UGDRPYOOLFJAAR-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 116.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.68
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71280236) is 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)CO)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21.

What is the InChIKey of 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is UGDRPYOOLFJAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F2N6O4Si/c1-26(2,14-35)31-24(36)18-13-34(15-37-9-10-39(4,5)6)23-22(18)30-19(12-29-23)21-17-11-16(38-25(27)28)7-8-20(17)33(3)32-21/h7-8,11-13,25,35H,9-10,14-15H2,1-6H3,(H,31,36).

What are the key properties of 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 560.68 g/mol, XLogP of 4.40, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71280236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).