2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde;[2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol

C48H56N14O4Si2 — CID 174155672

About 2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde;[2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol

2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde;[2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol (PubChem CID 174155672) has the molecular formula C48H56N14O4Si2 and a molecular weight of 949.24 g/mol. Its IUPAC name is 2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde;[2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol.

Molecular Properties

• Compound Name: 2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde;[2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol
• PubChem CID: 174155672
• Molecular Formula: C48H56N14O4Si2
• Molecular Weight: 949.24 g/mol
• Exact Mass: 948.41
• IUPAC Name: 2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde;[2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol
• SMILES: C[Si](C)(C)CCOCn1ccc2cc(-c3cn(Cc4cn5cc(C=O)ccc5n4)nn3)cnc21.C[Si](C)(C)CCOCn1ccc2cc(-c3cn(Cc4cn5cc(CO)ccc5n4)nn3)cnc21
• InChI: InChI=1S/C24H29N7O2Si.C24H27N7O2Si/c2*1-34(2,3)9-8-33-17-29-7-6-19-10-20(11-25-24(19)29)22-15-31(28-27-22)14-21-13-30-12-18(16-32)4-5-23(30)26-21/h4-7,10-13,15,32H,8-9,14,16-17H2,1-3H3;4-7,10-13,15-16H,8-9,14,17H2,1-3H3
• InChIKey: YVPAZAKIPCNZML-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 187.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	949.24
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

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-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde;[2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol?

The IUPAC name of 2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde;[2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol (CID 174155672) is 2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde;[2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol.

What is the SMILES notation for 2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde;[2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol?

The canonical SMILES for 2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde;[2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol is C[Si](C)(C)CCOCn1ccc2cc(-c3cn(Cc4cn5cc(C=O)ccc5n4)nn3)cnc21.C[Si](C)(C)CCOCn1ccc2cc(-c3cn(Cc4cn5cc(CO)ccc5n4)nn3)cnc21.

What is the InChIKey of 2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde;[2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol?

The InChIKey is YVPAZAKIPCNZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2Si.C24H27N7O2Si/c2*1-34(2,3)9-8-33-17-29-7-6-19-10-20(11-25-24(19)29)22-15-31(28-27-22)14-21-13-30-12-18(16-32)4-5-23(30)26-21/h4-7,10-13,15,32H,8-9,14,16-17H2,1-3H3;4-7,10-13,15-16H,8-9,14,17H2,1-3H3.

What are the key properties of 2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde;[2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol?

2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde;[2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol has a molecular weight of 949.24 g/mol, XLogP of 7.91, 18 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridine-6-carbaldehyde;[2-[[4-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanol is sourced from PubChem (CID 174155672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).