2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

C21H24FN5O2Si — CID 86677986

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
SMILESCn1nc(-c2cnc3c(n2)c(C=O)cn3COCC[Si](C)(C)C)c2ccc(F)cc21
InChIInChI=1S/C21H24FN5O2Si/c1-26-18-9-15(22)5-6-16(18)20(25-26)17-10-23-21-19(24-17)14(12-28)11-27(21)13-29-7-8-30(2,3)4/h5-6,9-12H,7-8,13H2,1-4H3
InChIKeyIYXVMCAFGGHSGF-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.25
Rot. Bonds7

About 2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (PubChem CID 86677986) has the molecular formula C21H24FN5O2Si and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
PubChem CID86677986
Molecular FormulaC21H24FN5O2Si
Molecular Weight425.54 g/mol
Exact Mass425.17
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
SMILESCn1nc(-c2cnc3c(n2)c(C=O)cn3COCC[Si](C)(C)C)c2ccc(F)cc21
InChIInChI=1S/C21H24FN5O2Si/c1-26-18-9-15(22)5-6-16(18)20(25-26)17-10-23-21-19(24-17)14(12-28)11-27(21)13-29-7-8-30(2,3)4/h5-6,9-12H,7-8,13H2,1-4H3
InChIKeyIYXVMCAFGGHSGF-UHFFFAOYSA-N
XLogP4.25
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (CID 86677986) is 2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is Cn1nc(-c2cnc3c(n2)c(C=O)cn3COCC[Si](C)(C)C)c2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The InChIKey is IYXVMCAFGGHSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2Si/c1-26-18-9-15(22)5-6-16(18)20(25-26)17-10-23-21-19(24-17)14(12-28)11-27(21)13-29-7-8-30(2,3)4/h5-6,9-12H,7-8,13H2,1-4H3.
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde has a molecular weight of 425.54 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is sourced from PubChem (CID 86677986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).