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

C24H30ClFN6O2Si — CID 71279709

IUPAC2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)cc(F)c34)nc12
InChIInChI=1S/C24H30ClFN6O2Si/c1-6-7-27-24(33)16-13-32(14-34-8-9-35(3,4)5)23-21(16)29-18(12-28-23)22-20-17(26)10-15(25)11-19(20)31(2)30-22/h10-13H,6-9,14H2,1-5H3,(H,27,33)
InChIKeyTVNPIBRUADZUMA-UHFFFAOYSA-N
MW517.08 g/mol
LogP5.23
Rot. Bonds9

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

2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279709) has the molecular formula C24H30ClFN6O2Si and a molecular weight of 517.08 g/mol. Its IUPAC name is 2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279709
Molecular FormulaC24H30ClFN6O2Si
Molecular Weight517.08 g/mol
Exact Mass516.19
IUPAC Name2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)cc(F)c34)nc12
InChIInChI=1S/C24H30ClFN6O2Si/c1-6-7-27-24(33)16-13-32(14-34-8-9-35(3,4)5)23-21(16)29-18(12-28-23)22-20-17(26)10-15(25)11-19(20)31(2)30-22/h10-13H,6-9,14H2,1-5H3,(H,27,33)
InChIKeyTVNPIBRUADZUMA-UHFFFAOYSA-N
XLogP5.23
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.08
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-chloro-4-fluoro-1-methylindazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279709) is 2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(Cl)cc(F)c34)nc12.
What is the InChIKey of 2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is TVNPIBRUADZUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClFN6O2Si/c1-6-7-27-24(33)16-13-32(14-34-8-9-35(3,4)5)23-21(16)29-18(12-28-23)22-20-17(26)10-15(25)11-19(20)31(2)30-22/h10-13H,6-9,14H2,1-5H3,(H,27,33).
What are the key properties of 2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 517.08 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-fluoro-1-methylindazol-3-yl)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).