2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

C40H43ClF2N10O5Si2 — CID 158936067

About 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde

2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (PubChem CID 158936067) has the molecular formula C40H43ClF2N10O5Si2 and a molecular weight of 873.47 g/mol. Its IUPAC name is 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde.

Molecular Properties

• Compound Name: 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
• PubChem CID: 158936067
• Molecular Formula: C40H43ClF2N10O5Si2
• Molecular Weight: 873.47 g/mol
• Exact Mass: 872.26
• IUPAC Name: 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde
• SMILES: C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3nc(Cl)n4cc(F)ccc34)cnc21.C[Si](C)(C)CCOCn1cc(C=O)c2nc(-c3ncn4cc(F)ccc34)cnc21
• InChI: InChI=1S/C20H21ClFN5O3Si.C20H22FN5O2Si/c1-31(2,3)7-6-30-11-26-10-13(19(28)29)16-18(26)23-8-14(24-16)17-15-5-4-12(22)9-27(15)20(21)25-17;1-29(2,3)7-6-28-13-26-9-14(11-27)18-20(26)22-8-16(24-18)19-17-5-4-15(21)10-25(17)12-23-19/h4-5,8-10H,6-7,11H2,1-3H3,(H,28,29);4-5,8-12H,6-7,13H2,1-3H3
• InChIKey: JJQVPSFWSLJINJ-UHFFFAOYSA-N
• XLogP: 8.56
• TPSA: 168.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	873.47
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

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-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?

The IUPAC name of 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde (CID 158936067) is 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde.

What is the SMILES notation for 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?

The canonical SMILES for 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3nc(Cl)n4cc(F)ccc34)cnc21.C[Si](C)(C)CCOCn1cc(C=O)c2nc(-c3ncn4cc(F)ccc34)cnc21.

What is the InChIKey of 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?

The InChIKey is JJQVPSFWSLJINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN5O3Si.C20H22FN5O2Si/c1-31(2,3)7-6-30-11-26-10-13(19(28)29)16-18(26)23-8-14(24-16)17-15-5-4-12(22)9-27(15)20(21)25-17;1-29(2,3)7-6-28-13-26-9-14(11-27)18-20(26)22-8-16(24-18)19-17-5-4-15(21)10-25(17)12-23-19/h4-5,8-10H,6-7,11H2,1-3H3,(H,28,29);4-5,8-12H,6-7,13H2,1-3H3.

What are the key properties of 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde?

2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde has a molecular weight of 873.47 g/mol, XLogP of 8.56, 14 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-chloro-6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(6-fluoroimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde is sourced from PubChem (CID 158936067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).