2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C50H64F2N12O5Si — CID 157212873

About 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 157212873) has the molecular formula C50H64F2N12O5Si and a molecular weight of 979.22 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 157212873
• Molecular Formula: C50H64F2N12O5Si
• Molecular Weight: 979.22 g/mol
• Exact Mass: 978.49
• IUPAC Name: 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: COC[C@H](CC(C)C)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12.COC[C@H](CC(C)C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
• InChI: InChI=1S/C28H39FN6O3Si.C22H25FN6O2/c1-18(2)12-20(16-37-4)31-28(36)22-15-35(17-38-10-11-39(5,6)7)27-26(22)32-23(14-30-27)25-21-9-8-19(29)13-24(21)34(3)33-25;1-12(2)7-14(11-31-4)26-22(30)16-9-24-21-20(16)27-17(10-25-21)19-15-6-5-13(23)8-18(15)29(3)28-19/h8-9,13-15,18,20H,10-12,16-17H2,1-7H3,(H,31,36);5-6,8-10,12,14H,7,11H2,1-4H3,(H,24,25)(H,26,30)/t20-;14-/m00/s1
• InChIKey: ASBVTKWBZHGLSD-QUJONECCSA-N
• XLogP: 8.67
• TPSA: 193.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	979.22
LogP ≤ 5	8.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

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-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 157212873) is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is COC[C@H](CC(C)C)NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12.COC[C@H](CC(C)C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12.

What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is ASBVTKWBZHGLSD-QUJONECCSA-N. The full InChI is InChI=1S/C28H39FN6O3Si.C22H25FN6O2/c1-18(2)12-20(16-37-4)31-28(36)22-15-35(17-38-10-11-39(5,6)7)27-26(22)32-23(14-30-27)25-21-9-8-19(29)13-24(21)34(3)33-25;1-12(2)7-14(11-31-4)26-22(30)16-9-24-21-20(16)27-17(10-25-21)19-15-6-5-13(23)8-18(15)29(3)28-19/h8-9,13-15,18,20H,10-12,16-17H2,1-7H3,(H,31,36);5-6,8-10,12,14H,7,11H2,1-4H3,(H,24,25)(H,26,30)/t20-;14-/m00/s1.

What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 979.22 g/mol, XLogP of 8.67, 19 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 157212873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).