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

C26H33FN6O3Si — CID 71279699

IUPAC2-[6-(2-fluorooxetan-3-yl)-1H-indazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4cc(C5COC5F)ccc34)nc12
InChIInChI=1S/C26H33FN6O3Si/c1-5-8-28-26(34)18-13-33(15-35-9-10-37(2,3)4)25-23(18)30-21(12-29-25)22-17-7-6-16(11-20(17)31-32-22)19-14-36-24(19)27/h6-7,11-13,19,24H,5,8-10,14-15H2,1-4H3,(H,28,34)(H,31,32)
InChIKeyHWBYFAMAWHWTJP-UHFFFAOYSA-N
MW524.67 g/mol
LogP4.84
Rot. Bonds10

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

2-[6-(2-fluorooxetan-3-yl)-1H-indazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279699) has the molecular formula C26H33FN6O3Si and a molecular weight of 524.67 g/mol. Its IUPAC name is 2-[6-(2-fluorooxetan-3-yl)-1H-indazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-[6-(2-fluorooxetan-3-yl)-1H-indazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279699
Molecular FormulaC26H33FN6O3Si
Molecular Weight524.67 g/mol
Exact Mass524.24
IUPAC Name2-[6-(2-fluorooxetan-3-yl)-1H-indazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4cc(C5COC5F)ccc34)nc12
InChIInChI=1S/C26H33FN6O3Si/c1-5-8-28-26(34)18-13-33(15-35-9-10-37(2,3)4)25-23(18)30-21(12-29-25)22-17-7-6-16(11-20(17)31-32-22)19-14-36-24(19)27/h6-7,11-13,19,24H,5,8-10,14-15H2,1-4H3,(H,28,34)(H,31,32)
InChIKeyHWBYFAMAWHWTJP-UHFFFAOYSA-N
XLogP4.84
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.67
LogP ≤ 54.84
H-Bond Donors ≤ 52
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-(2-fluorooxetan-3-yl)-1H-indazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-[6-(2-fluorooxetan-3-yl)-1H-indazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279699) is 2-[6-(2-fluorooxetan-3-yl)-1H-indazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-[6-(2-fluorooxetan-3-yl)-1H-indazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-[6-(2-fluorooxetan-3-yl)-1H-indazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CCCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4cc(C5COC5F)ccc34)nc12.
What is the InChIKey of 2-[6-(2-fluorooxetan-3-yl)-1H-indazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is HWBYFAMAWHWTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O3Si/c1-5-8-28-26(34)18-13-33(15-35-9-10-37(2,3)4)25-23(18)30-21(12-29-25)22-17-7-6-16(11-20(17)31-32-22)19-14-36-24(19)27/h6-7,11-13,19,24H,5,8-10,14-15H2,1-4H3,(H,28,34)(H,31,32).
What are the key properties of 2-[6-(2-fluorooxetan-3-yl)-1H-indazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-[6-(2-fluorooxetan-3-yl)-1H-indazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 524.67 g/mol, XLogP of 4.84, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluorooxetan-3-yl)-1H-indazol-3-yl]-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).