2-[1-(azetidin-3-yl)-6-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C26H34FN7O2Si — CID 71279517

IUPAC2-[1-(azetidin-3-yl)-6-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C4CNC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C26H34FN7O2Si/c1-5-8-29-26(35)20-15-33(16-36-9-10-37(2,3)4)25-24(20)31-21(14-30-25)23-19-7-6-17(27)11-22(19)34(32-23)18-12-28-13-18/h6-7,11,14-15,18,28H,5,8-10,12-13,16H2,1-4H3,(H,29,35)
InChIKeyHVRKDJMVMCXKQU-UHFFFAOYSA-N
MW523.69 g/mol
LogP4.18
Rot. Bonds10

About 2-[1-(azetidin-3-yl)-6-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-[1-(azetidin-3-yl)-6-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279517) has the molecular formula C26H34FN7O2Si and a molecular weight of 523.69 g/mol. Its IUPAC name is 2-[1-(azetidin-3-yl)-6-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[1-(azetidin-3-yl)-6-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279517
Molecular FormulaC26H34FN7O2Si
Molecular Weight523.69 g/mol
Exact Mass523.25
IUPAC Name2-[1-(azetidin-3-yl)-6-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C4CNC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C26H34FN7O2Si/c1-5-8-29-26(35)20-15-33(16-36-9-10-37(2,3)4)25-24(20)31-21(14-30-25)23-19-7-6-17(27)11-22(19)34(32-23)18-12-28-13-18/h6-7,11,14-15,18,28H,5,8-10,12-13,16H2,1-4H3,(H,29,35)
InChIKeyHVRKDJMVMCXKQU-UHFFFAOYSA-N
XLogP4.18
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.69
LogP ≤ 54.18
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-[1-(azetidin-3-yl)-6-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[1-(azetidin-3-yl)-6-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279517) is 2-[1-(azetidin-3-yl)-6-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[1-(azetidin-3-yl)-6-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[1-(azetidin-3-yl)-6-fluoroindazol-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(C4CNC4)c4cc(F)ccc34)nc12.
What is the InChIKey of 2-[1-(azetidin-3-yl)-6-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is HVRKDJMVMCXKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN7O2Si/c1-5-8-29-26(35)20-15-33(16-36-9-10-37(2,3)4)25-24(20)31-21(14-30-25)23-19-7-6-17(27)11-22(19)34(32-23)18-12-28-13-18/h6-7,11,14-15,18,28H,5,8-10,12-13,16H2,1-4H3,(H,29,35).
What are the key properties of 2-[1-(azetidin-3-yl)-6-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[1-(azetidin-3-yl)-6-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 523.69 g/mol, XLogP of 4.18, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azetidin-3-yl)-6-fluoroindazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).