N-tert-butyl-2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C30H40FN7O4Si — CID 71280344

IUPACN-tert-butyl-2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CC(=O)N4CCOCC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C30H40FN7O4Si/c1-30(2,3)34-29(40)22-17-37(19-42-13-14-43(4,5)6)28-27(22)33-23(16-32-28)26-21-8-7-20(31)15-24(21)38(35-26)18-25(39)36-9-11-41-12-10-36/h7-8,15-17H,9-14,18-19H2,1-6H3,(H,34,40)
InChIKeyYESJJRWNUQEFLZ-UHFFFAOYSA-N
MW609.78 g/mol
LogP4.29
Rot. Bonds9

About N-tert-butyl-2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71280344) has the molecular formula C30H40FN7O4Si and a molecular weight of 609.78 g/mol. Its IUPAC name is N-tert-butyl-2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71280344
Molecular FormulaC30H40FN7O4Si
Molecular Weight609.78 g/mol
Exact Mass609.29
IUPAC NameN-tert-butyl-2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CC(=O)N4CCOCC4)c4cc(F)ccc34)nc12
InChIInChI=1S/C30H40FN7O4Si/c1-30(2,3)34-29(40)22-17-37(19-42-13-14-43(4,5)6)28-27(22)33-23(16-32-28)26-21-8-7-20(31)15-24(21)38(35-26)18-25(39)36-9-11-41-12-10-36/h7-8,15-17H,9-14,18-19H2,1-6H3,(H,34,40)
InChIKeyYESJJRWNUQEFLZ-UHFFFAOYSA-N
XLogP4.29
TPSA116.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.78
LogP ≤ 54.29
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 N-tert-butyl-2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71280344) is N-tert-butyl-2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(CC(=O)N4CCOCC4)c4cc(F)ccc34)nc12.
What is the InChIKey of N-tert-butyl-2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is YESJJRWNUQEFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40FN7O4Si/c1-30(2,3)34-29(40)22-17-37(19-42-13-14-43(4,5)6)28-27(22)33-23(16-32-28)26-21-8-7-20(31)15-24(21)38(35-26)18-25(39)36-9-11-41-12-10-36/h7-8,15-17H,9-14,18-19H2,1-6H3,(H,34,40).
What are the key properties of N-tert-butyl-2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 609.78 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[6-fluoro-1-(2-morpholin-4-yl-2-oxoethyl)indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71280344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).