2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C44H50F4N10O7Si2 — CID 159267948

About 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 159267948) has the molecular formula C44H50F4N10O7Si2 and a molecular weight of 963.11 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

• Compound Name: 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• PubChem CID: 159267948
• Molecular Formula: C44H50F4N10O7Si2
• Molecular Weight: 963.11 g/mol
• Exact Mass: 962.33
• IUPAC Name: 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
• SMILES: Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21.Cn1nc(-c2cnc3c(n2)c(C=O)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21
• InChI: InChI=1S/C22H25F2N5O4Si.C22H25F2N5O3Si/c1-28-17-6-5-13(33-22(23)24)9-14(17)18(27-28)16-10-25-20-19(26-16)15(21(30)31)11-29(20)12-32-7-8-34(2,3)4;1-28-18-6-5-15(32-22(23)24)9-16(18)20(27-28)17-10-25-21-19(26-17)14(12-30)11-29(21)13-31-7-8-33(2,3)4/h5-6,9-11,22H,7-8,12H2,1-4H3,(H,30,31);5-6,9-12,22H,7-8,13H2,1-4H3
• InChIKey: KXIMUXCPZCXDGP-UHFFFAOYSA-N
• XLogP: 9.31
• TPSA: 188.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	963.11
LogP ≤ 5	9.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The IUPAC name of 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 159267948) is 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

What is the SMILES notation for 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The canonical SMILES for 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is Cn1nc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21.Cn1nc(-c2cnc3c(n2)c(C=O)cn3COCC[Si](C)(C)C)c2cc(OC(F)F)ccc21.

What is the InChIKey of 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

The InChIKey is KXIMUXCPZCXDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O4Si.C22H25F2N5O3Si/c1-28-17-6-5-13(33-22(23)24)9-14(17)18(27-28)16-10-25-20-19(26-16)15(21(30)31)11-29(20)12-32-7-8-34(2,3)4;1-28-18-6-5-15(32-22(23)24)9-16(18)20(27-28)17-10-25-21-19(26-17)14(12-30)11-29(21)13-31-7-8-33(2,3)4/h5-6,9-11,22H,7-8,12H2,1-4H3,(H,30,31);5-6,9-12,22H,7-8,13H2,1-4H3.

What are the key properties of 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?

2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 963.11 g/mol, XLogP of 9.31, 18 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-[5-(difluoromethoxy)-1-methylindazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 159267948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).