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

C26H33FN6O4Si — CID 71279962

IUPAC2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3nn(CCN4CCOCC4)c4cc(F)ccc34)cnc21
InChIInChI=1S/C26H33FN6O4Si/c1-38(2,3)13-12-37-17-32-16-20(26(34)35)24-25(32)28-15-21(29-24)23-19-5-4-18(27)14-22(19)33(30-23)7-6-31-8-10-36-11-9-31/h4-5,14-16H,6-13,17H2,1-3H3,(H,34,35)
InChIKeyRLJIXRYNSIYWSK-UHFFFAOYSA-N
MW540.67 g/mol
LogP3.93
Rot. Bonds10

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

2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71279962) has the molecular formula C26H33FN6O4Si and a molecular weight of 540.67 g/mol. Its IUPAC name is 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71279962
Molecular FormulaC26H33FN6O4Si
Molecular Weight540.67 g/mol
Exact Mass540.23
IUPAC Name2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESC[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3nn(CCN4CCOCC4)c4cc(F)ccc34)cnc21
InChIInChI=1S/C26H33FN6O4Si/c1-38(2,3)13-12-37-17-32-16-20(26(34)35)24-25(32)28-15-21(29-24)23-19-5-4-18(27)14-22(19)33(30-23)7-6-31-8-10-36-11-9-31/h4-5,14-16H,6-13,17H2,1-3H3,(H,34,35)
InChIKeyRLJIXRYNSIYWSK-UHFFFAOYSA-N
XLogP3.93
TPSA107.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.67
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-(2-morpholin-4-ylethyl)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-(2-morpholin-4-ylethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71279962) is 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[6-fluoro-1-(2-morpholin-4-ylethyl)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(CCN4CCOCC4)c4cc(F)ccc34)cnc21.
What is the InChIKey of 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is RLJIXRYNSIYWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O4Si/c1-38(2,3)13-12-37-17-32-16-20(26(34)35)24-25(32)28-15-21(29-24)23-19-5-4-18(27)14-22(19)33(30-23)7-6-31-8-10-36-11-9-31/h4-5,14-16H,6-13,17H2,1-3H3,(H,34,35).
What are the key properties of 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 540.67 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-1-(2-morpholin-4-ylethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71279962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).