2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C27H37FN6O3Si — CID 71286099

IUPAC2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIInChI=1S/C27H37FN6O3Si/c1-17(2)11-19(15-35)30-27(36)21-14-34(16-37-9-10-38(4,5)6)26-25(21)31-22(13-29-26)24-20-8-7-18(28)12-23(20)33(3)32-24/h7-8,12-14,17,19,35H,9-11,15-16H2,1-6H3,(H,30,36)/t19-/m0/s1
InChIKeyLAKIPACKHNTSSM-IBGZPJMESA-N
MW540.72 g/mol
LogP4.57
Rot. Bonds11

About 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71286099) has the molecular formula C27H37FN6O3Si and a molecular weight of 540.72 g/mol. Its IUPAC name is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71286099
Molecular FormulaC27H37FN6O3Si
Molecular Weight540.72 g/mol
Exact Mass540.27
IUPAC Name2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12
InChIInChI=1S/C27H37FN6O3Si/c1-17(2)11-19(15-35)30-27(36)21-14-34(16-37-9-10-38(4,5)6)26-25(21)31-22(13-29-26)24-20-8-7-18(28)12-23(20)33(3)32-24/h7-8,12-14,17,19,35H,9-11,15-16H2,1-6H3,(H,30,36)/t19-/m0/s1
InChIKeyLAKIPACKHNTSSM-IBGZPJMESA-N
XLogP4.57
TPSA107.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.72
LogP ≤ 54.57
H-Bond Donors ≤ 52
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-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71286099) is 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)C[C@@H](CO)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12.
What is the InChIKey of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is LAKIPACKHNTSSM-IBGZPJMESA-N. The full InChI is InChI=1S/C27H37FN6O3Si/c1-17(2)11-19(15-35)30-27(36)21-14-34(16-37-9-10-38(4,5)6)26-25(21)31-22(13-29-26)24-20-8-7-18(28)12-23(20)33(3)32-24/h7-8,12-14,17,19,35H,9-11,15-16H2,1-6H3,(H,30,36)/t19-/m0/s1.
What are the key properties of 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 540.72 g/mol, XLogP of 4.57, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-methylindazol-3-yl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71286099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).