2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

C26H34N6O3Si — CID 59825074

About 2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide

2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (PubChem CID 59825074) has the molecular formula C26H34N6O3Si and a molecular weight of 506.68 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
• PubChem CID: 59825074
• Molecular Formula: C26H34N6O3Si
• Molecular Weight: 506.68 g/mol
• Exact Mass: 506.25
• IUPAC Name: 2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
• SMILES: CN(C)C(=O)C(O)c1cncc(-c2cnc3c(c2)c(-c2ccnn2C)cn3COCC[Si](C)(C)C)c1
• InChI: InChI=1S/C26H34N6O3Si/c1-30(2)26(34)24(33)20-11-18(13-27-14-20)19-12-21-22(23-7-8-29-31(23)3)16-32(25(21)28-15-19)17-35-9-10-36(4,5)6/h7-8,11-16,24,33H,9-10,17H2,1-6H3
• InChIKey: SUVOUMMKLZGWBG-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 98.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.68
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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 2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide (CID 59825074) is 2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide.

What is the SMILES notation for 2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The canonical SMILES for 2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is CN(C)C(=O)C(O)c1cncc(-c2cnc3c(c2)c(-c2ccnn2C)cn3COCC[Si](C)(C)C)c1.

What is the InChIKey of 2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

The InChIKey is SUVOUMMKLZGWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3Si/c1-30(2)26(34)24(33)20-11-18(13-27-14-20)19-12-21-22(23-7-8-29-31(23)3)16-32(25(21)28-15-19)17-35-9-10-36(4,5)6/h7-8,11-16,24,33H,9-10,17H2,1-6H3.

What are the key properties of 2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide?

2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide has a molecular weight of 506.68 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 59825074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).