2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C48H54Cl2N14O3Si — CID 158853151

About 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 158853151) has the molecular formula C48H54Cl2N14O3Si and a molecular weight of 974.05 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 158853151
• Molecular Formula: C48H54Cl2N14O3Si
• Molecular Weight: 974.05 g/mol
• Exact Mass: 972.36
• IUPAC Name: 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: C[C@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C(C)(C)C#N.C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C(C)(C)C#N
• InChI: InChI=1S/C27H34ClN7O2Si.C21H20ClN7O/c1-17(27(2,3)15-29)31-26(36)20-14-35(16-37-10-11-38(5,6)7)25-24(20)32-21(13-30-25)23-19-9-8-18(28)12-22(19)34(4)33-23;1-11(21(2,3)10-23)26-20(30)14-8-24-19-18(14)27-15(9-25-19)17-13-6-5-12(22)7-16(13)29(4)28-17/h8-9,12-14,17H,10-11,16H2,1-7H3,(H,31,36);5-9,11H,1-4H3,(H,24,25)(H,26,30)/t17-;11-/m00/s1
• InChIKey: IZSCWRPBOGIRMG-GZXCOZKISA-N
• XLogP: 9.45
• TPSA: 222.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	974.05
LogP ≤ 5	9.45
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-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 158853151) is 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

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

The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C(C)(C)C#N.C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)ccc34)nc12)C(C)(C)C#N.

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

The InChIKey is IZSCWRPBOGIRMG-GZXCOZKISA-N. The full InChI is InChI=1S/C27H34ClN7O2Si.C21H20ClN7O/c1-17(27(2,3)15-29)31-26(36)20-14-35(16-37-10-11-38(5,6)7)25-24(20)32-21(13-30-25)23-19-9-8-18(28)12-22(19)34(4)33-23;1-11(21(2,3)10-23)26-20(30)14-8-24-19-18(14)27-15(9-25-19)17-13-6-5-12(22)7-16(13)29(4)28-17/h8-9,12-14,17H,10-11,16H2,1-7H3,(H,31,36);5-9,11H,1-4H3,(H,24,25)(H,26,30)/t17-;11-/m00/s1.

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

2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 974.05 g/mol, XLogP of 9.45, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-chloro-1-methylindazol-3-yl)-N-[(2S)-3-cyano-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 158853151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).