2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C26H30FN7O3Si — CID 71286048

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1ncco1
InChIInChI=1S/C26H30FN7O3Si/c1-16(26-28-8-9-37-26)30-25(35)19-14-34(15-36-10-11-38(3,4)5)24-23(19)31-20(13-29-24)22-18-7-6-17(27)12-21(18)33(2)32-22/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,30,35)/t16-/m1/s1
InChIKeyZHEXHELWZYTGTA-MRXNPFEDSA-N
MW535.66 g/mol
LogP4.92
Rot. Bonds9

About 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71286048) has the molecular formula C26H30FN7O3Si and a molecular weight of 535.66 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71286048
Molecular FormulaC26H30FN7O3Si
Molecular Weight535.66 g/mol
Exact Mass535.22
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESC[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1ncco1
InChIInChI=1S/C26H30FN7O3Si/c1-16(26-28-8-9-37-26)30-25(35)19-14-34(15-36-10-11-38(3,4)5)24-23(19)31-20(13-29-24)22-18-7-6-17(27)12-21(18)33(2)32-22/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,30,35)/t16-/m1/s1
InChIKeyZHEXHELWZYTGTA-MRXNPFEDSA-N
XLogP4.92
TPSA112.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.66
LogP ≤ 54.92
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71286048) is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1ncco1.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is ZHEXHELWZYTGTA-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H30FN7O3Si/c1-16(26-28-8-9-37-26)30-25(35)19-14-34(15-36-10-11-38(3,4)5)24-23(19)31-20(13-29-24)22-18-7-6-17(27)12-21(18)33(2)32-22/h6-9,12-14,16H,10-11,15H2,1-5H3,(H,30,35)/t16-/m1/s1.
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 535.66 g/mol, XLogP of 4.92, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71286048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).