N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-(methylamino)-2-oxoethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C28H37F2N7O4Si — CID 71279632

About N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-(methylamino)-2-oxoethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-(methylamino)-2-oxoethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279632) has the molecular formula C28H37F2N7O4Si and a molecular weight of 601.73 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-(methylamino)-2-oxoethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-(methylamino)-2-oxoethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71279632
• Molecular Formula: C28H37F2N7O4Si
• Molecular Weight: 601.73 g/mol
• Exact Mass: 601.26
• IUPAC Name: N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-(methylamino)-2-oxoethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CNC(=O)Cn1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21
• InChI: InChI=1S/C28H37F2N7O4Si/c1-28(2,3)34-26(39)19-14-36(16-40-10-11-42(5,6)7)25-24(19)33-20(13-32-25)23-18-12-17(41-27(29)30)8-9-21(18)37(35-23)15-22(38)31-4/h8-9,12-14,27H,10-11,15-16H2,1-7H3,(H,31,38)(H,34,39)
• InChIKey: KTZDUBCQMWWTIM-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 125.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.73
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-[2-(methylamino)-2-oxoethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-(methylamino)-2-oxoethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279632) is N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-(methylamino)-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-[5-(difluoromethoxy)-1-[2-(methylamino)-2-oxoethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-(methylamino)-2-oxoethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CNC(=O)Cn1nc(-c2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21.

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

The InChIKey is KTZDUBCQMWWTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37F2N7O4Si/c1-28(2,3)34-26(39)19-14-36(16-40-10-11-42(5,6)7)25-24(19)33-20(13-32-25)23-18-12-17(41-27(29)30)8-9-21(18)37(35-23)15-22(38)31-4/h8-9,12-14,27H,10-11,15-16H2,1-7H3,(H,31,38)(H,34,39).

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

N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-(methylamino)-2-oxoethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 601.73 g/mol, XLogP of 4.64, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[5-(difluoromethoxy)-1-[2-(methylamino)-2-oxoethyl]indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).