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

C30H38F2N8O3Si — CID 71279582

About 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]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279582) has the molecular formula C30H38F2N8O3Si and a molecular weight of 624.77 g/mol. Its IUPAC name is 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]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71279582
• Molecular Formula: C30H38F2N8O3Si
• Molecular Weight: 624.77 g/mol
• Exact Mass: 624.28
• IUPAC Name: 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(-c3cnc4c(n3)c(C(=O)NC(C)(C)C)cn4COCC[Si](C)(C)C)c3cc(OC(F)F)ccc32)cn1
• InChI: InChI=1S/C30H38F2N8O3Si/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/h8-9,12-15,17,29H,10-11,16,18H2,1-7H3,(H,36,41)
• InChIKey: XEENECXZRUYXMU-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 113.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.77
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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]-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]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279582) is 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]-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]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is 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]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is XEENECXZRUYXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F2N8O3Si/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/h8-9,12-15,17,29H,10-11,16,18H2,1-7H3,(H,36,41).

What are the key properties of 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]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 624.77 g/mol, XLogP of 5.67, 11 rotatable bonds, 1 hydrogen bond donors, and 10 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]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).