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

C23H26FN5O4Si — CID 71280187

IUPAC2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3nn(C4COC4)c4cc(F)ccc34)cnc21
InChIInChI=1S/C23H26FN5O4Si/c1-34(2,3)7-6-32-13-28-10-17(23(30)31)21-22(28)25-9-18(26-21)20-16-5-4-14(24)8-19(16)29(27-20)15-11-33-12-15/h4-5,8-10,15H,6-7,11-13H2,1-3H3,(H,30,31)
InChIKeyPLTUJGXUGBVRGZ-UHFFFAOYSA-N
MW483.58 g/mol
LogP4.17
Rot. Bonds8

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

2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71280187) has the molecular formula C23H26FN5O4Si and a molecular weight of 483.58 g/mol. Its IUPAC name is 2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71280187
Molecular FormulaC23H26FN5O4Si
Molecular Weight483.58 g/mol
Exact Mass483.17
IUPAC Name2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3nn(C4COC4)c4cc(F)ccc34)cnc21
InChIInChI=1S/C23H26FN5O4Si/c1-34(2,3)7-6-32-13-28-10-17(23(30)31)21-22(28)25-9-18(26-21)20-16-5-4-14(24)8-19(16)29(27-20)15-11-33-12-15/h4-5,8-10,15H,6-7,11-13H2,1-3H3,(H,30,31)
InChIKeyPLTUJGXUGBVRGZ-UHFFFAOYSA-N
XLogP4.17
TPSA104.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71280187) is 2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[6-fluoro-1-(oxetan-3-yl)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(C4COC4)c4cc(F)ccc34)cnc21.
What is the InChIKey of 2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is PLTUJGXUGBVRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4Si/c1-34(2,3)7-6-32-13-28-10-17(23(30)31)21-22(28)25-9-18(26-21)20-16-5-4-14(24)8-19(16)29(27-20)15-11-33-12-15/h4-5,8-10,15H,6-7,11-13H2,1-3H3,(H,30,31).
What are the key properties of 2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 483.58 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71280187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).