N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C44H48F6N12O3Si — CID 161202993

About N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 161202993) has the molecular formula C44H48F6N12O3Si and a molecular weight of 935.02 g/mol. Its IUPAC name is N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 161202993
• Molecular Formula: C44H48F6N12O3Si
• Molecular Weight: 935.02 g/mol
• Exact Mass: 934.36
• IUPAC Name: N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(C)(C)NC(=O)c1c[nH]c2ncc(-n3ncc4ccc(C(F)(F)F)cc43)nc12.CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-n3ncc4ccc(C(F)(F)F)cc43)nc12
• InChI: InChI=1S/C25H31F3N6O2Si.C19H17F3N6O/c1-24(2,3)32-23(35)18-14-33(15-36-9-10-37(4,5)6)22-21(18)31-20(13-29-22)34-19-11-17(25(26,27)28)8-7-16(19)12-30-34;1-18(2,3)27-17(29)12-8-23-16-15(12)26-14(9-24-16)28-13-6-11(19(20,21)22)5-4-10(13)7-25-28/h7-8,11-14H,9-10,15H2,1-6H3,(H,32,35);4-9H,1-3H3,(H,23,24)(H,27,29)
• InChIKey: UVFPPYOOPCDSDU-UHFFFAOYSA-N
• XLogP: 9.47
• TPSA: 175.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	935.02
LogP ≤ 5	9.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 161202993) is N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1c[nH]c2ncc(-n3ncc4ccc(C(F)(F)F)cc43)nc12.CC(C)(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-n3ncc4ccc(C(F)(F)F)cc43)nc12.

What is the InChIKey of N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is UVFPPYOOPCDSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N6O2Si.C19H17F3N6O/c1-24(2,3)32-23(35)18-14-33(15-36-9-10-37(4,5)6)22-21(18)31-20(13-29-22)34-19-11-17(25(26,27)28)8-7-16(19)12-30-34;1-18(2,3)27-17(29)12-8-23-16-15(12)26-14(9-24-16)28-13-6-11(19(20,21)22)5-4-10(13)7-25-28/h7-8,11-14H,9-10,15H2,1-6H3,(H,32,35);4-9H,1-3H3,(H,23,24)(H,27,29).

What are the key properties of N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 935.02 g/mol, XLogP of 9.47, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[6-(trifluoromethyl)indazol-1-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 161202993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).