(2R)-3-fluoro-3-methylbutan-2-amine;N-[(2R)-3-fluoro-3-methylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;hydrochloride

C52H71ClF4N12O5Si2 — CID 159895482

About (2R)-3-fluoro-3-methylbutan-2-amine;N-[(2R)-3-fluoro-3-methylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;hydrochloride

(2R)-3-fluoro-3-methylbutan-2-amine;N-[(2R)-3-fluoro-3-methylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;hydrochloride (PubChem CID 159895482) has the molecular formula C52H71ClF4N12O5Si2 and a molecular weight of 1111.84 g/mol. Its IUPAC name is (2R)-3-fluoro-3-methylbutan-2-amine;N-[(2R)-3-fluoro-3-methylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: (2R)-3-fluoro-3-methylbutan-2-amine;N-[(2R)-3-fluoro-3-methylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;hydrochloride
• PubChem CID: 159895482
• Molecular Formula: C52H71ClF4N12O5Si2
• Molecular Weight: 1111.84 g/mol
• Exact Mass: 1110.48
• IUPAC Name: (2R)-3-fluoro-3-methylbutan-2-amine;N-[(2R)-3-fluoro-3-methylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;hydrochloride
• SMILES: C[C@@H](N)C(C)(C)F.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)C(C)(C)F.Cl.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(F)cc21
• InChI: InChI=1S/C26H34F2N6O2Si.C21H24FN5O3Si.C5H12FN.ClH/c1-16(26(2,3)28)30-25(35)19-14-34(15-36-10-11-37(5,6)7)24-23(19)31-20(13-29-24)22-18-9-8-17(27)12-21(18)33(4)32-22;1-26-17-9-13(22)5-6-14(17)18(25-26)16-10-23-20-19(24-16)15(21(28)29)11-27(20)12-30-7-8-31(2,3)4;1-4(7)5(2,3)6;/h8-9,12-14,16H,10-11,15H2,1-7H3,(H,30,35);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);4H,7H2,1-3H3;1H/t16-;;4-;/m1.1./s1
• InChIKey: NUAMJIBBVHFYPF-HVBNOQOGSA-N
• XLogP: 10.94
• TPSA: 207.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1111.84
LogP ≤ 5	10.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

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 (2R)-3-fluoro-3-methylbutan-2-amine;N-[(2R)-3-fluoro-3-methylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;hydrochloride?

The IUPAC name of (2R)-3-fluoro-3-methylbutan-2-amine;N-[(2R)-3-fluoro-3-methylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;hydrochloride (CID 159895482) is (2R)-3-fluoro-3-methylbutan-2-amine;N-[(2R)-3-fluoro-3-methylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;hydrochloride.

What is the SMILES notation for (2R)-3-fluoro-3-methylbutan-2-amine;N-[(2R)-3-fluoro-3-methylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;hydrochloride?

The canonical SMILES for (2R)-3-fluoro-3-methylbutan-2-amine;N-[(2R)-3-fluoro-3-methylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;hydrochloride is C[C@@H](N)C(C)(C)F.C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)C(C)(C)F.Cl.Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2ccc(F)cc21.

What is the InChIKey of (2R)-3-fluoro-3-methylbutan-2-amine;N-[(2R)-3-fluoro-3-methylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;hydrochloride?

The InChIKey is NUAMJIBBVHFYPF-HVBNOQOGSA-N. The full InChI is InChI=1S/C26H34F2N6O2Si.C21H24FN5O3Si.C5H12FN.ClH/c1-16(26(2,3)28)30-25(35)19-14-34(15-36-10-11-37(5,6)7)24-23(19)31-20(13-29-24)22-18-9-8-17(27)12-21(18)33(4)32-22;1-26-17-9-13(22)5-6-14(17)18(25-26)16-10-23-20-19(24-16)15(21(28)29)11-27(20)12-30-7-8-31(2,3)4;1-4(7)5(2,3)6;/h8-9,12-14,16H,10-11,15H2,1-7H3,(H,30,35);5-6,9-11H,7-8,12H2,1-4H3,(H,28,29);4H,7H2,1-3H3;1H/t16-;;4-;/m1.1./s1.

What are the key properties of (2R)-3-fluoro-3-methylbutan-2-amine;N-[(2R)-3-fluoro-3-methylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;hydrochloride?

(2R)-3-fluoro-3-methylbutan-2-amine;N-[(2R)-3-fluoro-3-methylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;hydrochloride has a molecular weight of 1111.84 g/mol, XLogP of 10.94, 17 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-fluoro-3-methylbutan-2-amine;N-[(2R)-3-fluoro-3-methylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 159895482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).