N-[(1R)-1-[4-(aminomethyl)-1,3-oxazol-2-yl]ethyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C27H33FN8O3Si — CID 71288326

About N-[(1R)-1-[4-(aminomethyl)-1,3-oxazol-2-yl]ethyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(1R)-1-[4-(aminomethyl)-1,3-oxazol-2-yl]ethyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288326) has the molecular formula C27H33FN8O3Si and a molecular weight of 564.70 g/mol. Its IUPAC name is N-[(1R)-1-[4-(aminomethyl)-1,3-oxazol-2-yl]ethyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[4-(aminomethyl)-1,3-oxazol-2-yl]ethyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71288326
• Molecular Formula: C27H33FN8O3Si
• Molecular Weight: 564.70 g/mol
• Exact Mass: 564.24
• IUPAC Name: N-[(1R)-1-[4-(aminomethyl)-1,3-oxazol-2-yl]ethyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1nc(CN)co1
• InChI: InChI=1S/C27H33FN8O3Si/c1-16(27-32-18(11-29)14-39-27)31-26(37)20-13-36(15-38-8-9-40(3,4)5)25-24(20)33-21(12-30-25)23-19-7-6-17(28)10-22(19)35(2)34-23/h6-7,10,12-14,16H,8-9,11,15,29H2,1-5H3,(H,31,37)/t16-/m1/s1
• InChIKey: PISFCTDIOUMJJN-MRXNPFEDSA-N
• XLogP: 4.37
• TPSA: 138.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.70
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-[(1R)-1-[4-(aminomethyl)-1,3-oxazol-2-yl]ethyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-[(1R)-1-[4-(aminomethyl)-1,3-oxazol-2-yl]ethyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288326) is N-[(1R)-1-[4-(aminomethyl)-1,3-oxazol-2-yl]ethyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-[(1R)-1-[4-(aminomethyl)-1,3-oxazol-2-yl]ethyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-[(1R)-1-[4-(aminomethyl)-1,3-oxazol-2-yl]ethyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1nc(CN)co1.

What is the InChIKey of N-[(1R)-1-[4-(aminomethyl)-1,3-oxazol-2-yl]ethyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is PISFCTDIOUMJJN-MRXNPFEDSA-N. The full InChI is InChI=1S/C27H33FN8O3Si/c1-16(27-32-18(11-29)14-39-27)31-26(37)20-13-36(15-38-8-9-40(3,4)5)25-24(20)33-21(12-30-25)23-19-7-6-17(28)10-22(19)35(2)34-23/h6-7,10,12-14,16H,8-9,11,15,29H2,1-5H3,(H,31,37)/t16-/m1/s1.

What are the key properties of N-[(1R)-1-[4-(aminomethyl)-1,3-oxazol-2-yl]ethyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-[(1R)-1-[4-(aminomethyl)-1,3-oxazol-2-yl]ethyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 564.70 g/mol, XLogP of 4.37, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[4-(aminomethyl)-1,3-oxazol-2-yl]ethyl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).