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

C26H33FN6O3Si — CID 71279698

IUPAC2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C4COC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C26H33FN6O3Si/c1-16(2)29-26(34)20-12-32(15-35-8-9-37(3,4)5)25-24(20)30-21(11-28-25)23-19-7-6-17(27)10-22(19)33(31-23)18-13-36-14-18/h6-7,10-12,16,18H,8-9,13-15H2,1-5H3,(H,29,34)
InChIKeyNNKBJZHEQPCCEF-UHFFFAOYSA-N
MW524.67 g/mol
LogP4.61
Rot. Bonds9

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

2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279698) has the molecular formula C26H33FN6O3Si and a molecular weight of 524.67 g/mol. Its IUPAC name is 2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279698
Molecular FormulaC26H33FN6O3Si
Molecular Weight524.67 g/mol
Exact Mass524.24
IUPAC Name2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C4COC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C26H33FN6O3Si/c1-16(2)29-26(34)20-12-32(15-35-8-9-37(3,4)5)25-24(20)30-21(11-28-25)23-19-7-6-17(27)10-22(19)33(31-23)18-13-36-14-18/h6-7,10-12,16,18H,8-9,13-15H2,1-5H3,(H,29,34)
InChIKeyNNKBJZHEQPCCEF-UHFFFAOYSA-N
XLogP4.61
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.67
LogP ≤ 54.61
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279698) is 2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C4COC4)c4cc(F)ccc34)nc12.
What is the InChIKey of 2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is NNKBJZHEQPCCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O3Si/c1-16(2)29-26(34)20-12-32(15-35-8-9-37(3,4)5)25-24(20)30-21(11-28-25)23-19-7-6-17(27)10-22(19)33(31-23)18-13-36-14-18/h6-7,10-12,16,18H,8-9,13-15H2,1-5H3,(H,29,34).
What are the key properties of 2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[6-fluoro-1-(oxetan-3-yl)indazol-3-yl]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 524.67 g/mol, XLogP of 4.61, 9 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]-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).