N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C54H62F4N16O5Si — CID 159262729

About N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 159262729) has the molecular formula C54H62F4N16O5Si and a molecular weight of 1119.27 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 159262729
• Molecular Formula: C54H62F4N16O5Si
• Molecular Weight: 1119.27 g/mol
• Exact Mass: 1118.48
• IUPAC Name: N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: Cn1cc(Cn2nc(-c3cnc4[nH]cc(C(=O)NC(C)(C)C)c4n3)c3cc(OC(F)F)ccc32)cn1.Cn1cc(Cn2nc(-c3cnc4c(n3)c(C(=O)NC(C)(C)C)cn4COCC[Si](C)(C)C)c3cc(OC(F)F)ccc32)cn1
• InChI: InChI=1S/C30H38F2N8O3Si.C24H24F2N8O2/c1-30(2,3)36-28(41)22-17-39(18-42-10-11-44(5,6)7)27-26(22)35-23(14-33-27)25-21-12-20(43-29(31)32)8-9-24(21)40(37-25)16-19-13-34-38(4)15-19;1-24(2,3)31-22(35)16-9-27-21-20(16)30-17(10-28-21)19-15-7-14(36-23(25)26)5-6-18(15)34(32-19)12-13-8-29-33(4)11-13/h8-9,12-15,17,29H,10-11,16,18H2,1-7H3,(H,36,41);5-11,23H,12H2,1-4H3,(H,27,28)(H,31,35)
• InChIKey: KWSDSLGJANGIIG-UHFFFAOYSA-N
• XLogP: 9.56
• TPSA: 229.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1119.27
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

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-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 159262729) is N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1cc(Cn2nc(-c3cnc4[nH]cc(C(=O)NC(C)(C)C)c4n3)c3cc(OC(F)F)ccc32)cn1.Cn1cc(Cn2nc(-c3cnc4c(n3)c(C(=O)NC(C)(C)C)cn4COCC[Si](C)(C)C)c3cc(OC(F)F)ccc32)cn1.

What is the InChIKey of N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is KWSDSLGJANGIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F2N8O3Si.C24H24F2N8O2/c1-30(2,3)36-28(41)22-17-39(18-42-10-11-44(5,6)7)27-26(22)35-23(14-33-27)25-21-12-20(43-29(31)32)8-9-24(21)40(37-25)16-19-13-34-38(4)15-19;1-24(2,3)31-22(35)16-9-27-21-20(16)30-17(10-28-21)19-15-7-14(36-23(25)26)5-6-18(15)34(32-19)12-13-8-29-33(4)11-13/h8-9,12-15,17,29H,10-11,16,18H2,1-7H3,(H,36,41);5-11,23H,12H2,1-4H3,(H,27,28)(H,31,35).

What are the key properties of N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1119.27 g/mol, XLogP of 9.56, 17 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-2-[5-(difluoromethoxy)-1-[(1-methylpyrazol-4-yl)methyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 159262729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).