2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride

C48H61Cl3F2N14O3Si — CID 162170080

About 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride

2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride (PubChem CID 162170080) has the molecular formula C48H61Cl3F2N14O3Si and a molecular weight of 1054.55 g/mol. Its IUPAC name is 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride
• PubChem CID: 162170080
• Molecular Formula: C48H61Cl3F2N14O3Si
• Molecular Weight: 1054.55 g/mol
• Exact Mass: 1052.39
• IUPAC Name: 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride
• SMILES: CC(C)NC(=O)c1c[nH]c2ncc(-c3nn(CCN(C)C)c4cc(Cl)cc(F)c34)nc12.CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CCN(C)C)c4cc(Cl)cc(F)c34)nc12.Cl
• InChI: InChI=1S/C27H37ClFN7O2Si.C21H23ClFN7O.ClH/c1-17(2)31-27(37)19-15-35(16-38-10-11-39(5,6)7)26-24(19)32-21(14-30-26)25-23-20(29)12-18(28)13-22(23)36(33-25)9-8-34(3)4;1-11(2)26-21(31)13-9-24-20-18(13)27-15(10-25-20)19-17-14(23)7-12(22)8-16(17)30(28-19)6-5-29(3)4;/h12-15,17H,8-11,16H2,1-7H3,(H,31,37);7-11H,5-6H2,1-4H3,(H,24,25)(H,26,31);1H
• InChIKey: FTBBBBFGXYSSKY-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 181.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1054.55
LogP ≤ 5	9.14
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-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride?

The IUPAC name of 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride (CID 162170080) is 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride.

What is the SMILES notation for 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride?

The canonical SMILES for 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride is CC(C)NC(=O)c1c[nH]c2ncc(-c3nn(CCN(C)C)c4cc(Cl)cc(F)c34)nc12.CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CCN(C)C)c4cc(Cl)cc(F)c34)nc12.Cl.

What is the InChIKey of 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride?

The InChIKey is FTBBBBFGXYSSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37ClFN7O2Si.C21H23ClFN7O.ClH/c1-17(2)31-27(37)19-15-35(16-38-10-11-39(5,6)7)26-24(19)32-21(14-30-26)25-23-20(29)12-18(28)13-22(23)36(33-25)9-8-34(3)4;1-11(2)26-21(31)13-9-24-20-18(13)27-15(10-25-20)19-17-14(23)7-12(22)8-16(17)30(28-19)6-5-29(3)4;/h12-15,17H,8-11,16H2,1-7H3,(H,31,37);7-11H,5-6H2,1-4H3,(H,24,25)(H,26,31);1H.

What are the key properties of 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride?

2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride has a molecular weight of 1054.55 g/mol, XLogP of 9.14, 17 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-[6-chloro-1-[2-(dimethylamino)ethyl]-4-fluoroindazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;hydrochloride is sourced from PubChem (CID 162170080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).