2-[5-(hydroxymethyl)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C25H34N6O3Si — CID 71280442

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

2-[5-(hydroxymethyl)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71280442) has the molecular formula C25H34N6O3Si and a molecular weight of 494.67 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-[5-(hydroxymethyl)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71280442
• Molecular Formula: C25H34N6O3Si
• Molecular Weight: 494.67 g/mol
• Exact Mass: 494.25
• IUPAC Name: 2-[5-(hydroxymethyl)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4ccc(CO)cc34)nc12
• InChI: InChI=1S/C25H34N6O3Si/c1-16(2)27-25(33)19-13-31(15-34-9-10-35(4,5)6)24-23(19)28-20(12-26-24)22-18-11-17(14-32)7-8-21(18)30(3)29-22/h7-8,11-13,16,32H,9-10,14-15H2,1-6H3,(H,27,33)
• InChIKey: QDSBYDIYIMBIQI-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 107.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.67
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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

The IUPAC name of 2-[5-(hydroxymethyl)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71280442) is 2-[5-(hydroxymethyl)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

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

The canonical SMILES for 2-[5-(hydroxymethyl)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4ccc(CO)cc34)nc12.

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

The InChIKey is QDSBYDIYIMBIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3Si/c1-16(2)27-25(33)19-13-31(15-34-9-10-35(4,5)6)24-23(19)28-20(12-26-24)22-18-11-17(14-32)7-8-21(18)30(3)29-22/h7-8,11-13,16,32H,9-10,14-15H2,1-6H3,(H,27,33).

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

2-[5-(hydroxymethyl)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 494.67 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(hydroxymethyl)-1-methylindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71280442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).