N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C56H54Br2F2N12O3Si — CID 160815187

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

N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 160815187) has the molecular formula C56H54Br2F2N12O3Si and a molecular weight of 1169.02 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 160815187
• Molecular Formula: C56H54Br2F2N12O3Si
• Molecular Weight: 1169.02 g/mol
• Exact Mass: 1166.25
• IUPAC Name: N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: Cn1nc(-c2cnc3[nH]cc(C(=O)NC4(c5cccc(Br)c5)CCC4)c3n2)c2ccc(F)cc21.Cn1nc(-c2cnc3c(n2)c(C(=O)NC2(c4cccc(Br)c4)CCC2)cn3COCC[Si](C)(C)C)c2ccc(F)cc21
• InChI: InChI=1S/C31H34BrFN6O2Si.C25H20BrFN6O/c1-38-26-16-22(33)9-10-23(26)27(37-38)25-17-34-29-28(35-25)24(18-39(29)19-41-13-14-42(2,3)4)30(40)36-31(11-6-12-31)20-7-5-8-21(32)15-20;1-33-20-11-16(27)6-7-17(20)21(32-33)19-13-29-23-22(30-19)18(12-28-23)24(34)31-25(8-3-9-25)14-4-2-5-15(26)10-14/h5,7-10,15-18H,6,11-14,19H2,1-4H3,(H,36,40);2,4-7,10-13H,3,8-9H2,1H3,(H,28,29)(H,31,34)
• InChIKey: SEUSAUSPAMPQQY-UHFFFAOYSA-N
• XLogP: 12.23
• TPSA: 175.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1169.02
LogP ≤ 5	12.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

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

The IUPAC name of N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 160815187) is N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

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

The canonical SMILES for N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3[nH]cc(C(=O)NC4(c5cccc(Br)c5)CCC4)c3n2)c2ccc(F)cc21.Cn1nc(-c2cnc3c(n2)c(C(=O)NC2(c4cccc(Br)c4)CCC2)cn3COCC[Si](C)(C)C)c2ccc(F)cc21.

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

The InChIKey is SEUSAUSPAMPQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34BrFN6O2Si.C25H20BrFN6O/c1-38-26-16-22(33)9-10-23(26)27(37-38)25-17-34-29-28(35-25)24(18-39(29)19-41-13-14-42(2,3)4)30(40)36-31(11-6-12-31)20-7-5-8-21(32)15-20;1-33-20-11-16(27)6-7-17(20)21(32-33)19-13-29-23-22(30-19)18(12-28-23)24(34)31-25(8-3-9-25)14-4-2-5-15(26)10-14/h5,7-10,15-18H,6,11-14,19H2,1-4H3,(H,36,40);2,4-7,10-13H,3,8-9H2,1H3,(H,28,29)(H,31,34).

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

N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1169.02 g/mol, XLogP of 12.23, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[1-(3-bromophenyl)cyclobutyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 160815187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).