2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C30H34FN7O4Si — CID 71280268

About 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71280268) has the molecular formula C30H34FN7O4Si and a molecular weight of 603.73 g/mol. Its IUPAC name is 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

• Compound Name: 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• PubChem CID: 71280268
• Molecular Formula: C30H34FN7O4Si
• Molecular Weight: 603.73 g/mol
• Exact Mass: 603.24
• IUPAC Name: 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• SMILES: C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3nn(Cc4ccc(N5CCOCC5)nc4)c4cc(F)ccc34)cnc21
• InChI: InChI=1S/C30H34FN7O4Si/c1-43(2,3)13-12-42-19-37-18-23(30(39)40)28-29(37)33-16-24(34-28)27-22-6-5-21(31)14-25(22)38(35-27)17-20-4-7-26(32-15-20)36-8-10-41-11-9-36/h4-7,14-16,18H,8-13,17,19H2,1-3H3,(H,39,40)
• InChIKey: SSPKUPXYHZAQBE-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 120.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.73
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
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 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The IUPAC name of 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71280268) is 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

What is the SMILES notation for 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The canonical SMILES for 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3nn(Cc4ccc(N5CCOCC5)nc4)c4cc(F)ccc34)cnc21.

What is the InChIKey of 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The InChIKey is SSPKUPXYHZAQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN7O4Si/c1-43(2,3)13-12-42-19-37-18-23(30(39)40)28-29(37)33-16-24(34-28)27-22-6-5-21(31)14-25(22)38(35-27)17-20-4-7-26(32-15-20)36-8-10-41-11-9-36/h4-7,14-16,18H,8-13,17,19H2,1-3H3,(H,39,40).

What are the key properties of 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 603.73 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-fluoro-1-[(6-morpholin-4-yl-3-pyridinyl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71280268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).