2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide

C28H34FN5O3Si — CID 59825057

About 2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide

2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide (PubChem CID 59825057) has the molecular formula C28H34FN5O3Si and a molecular weight of 535.70 g/mol. Its IUPAC name is 2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
• PubChem CID: 59825057
• Molecular Formula: C28H34FN5O3Si
• Molecular Weight: 535.70 g/mol
• Exact Mass: 535.24
• IUPAC Name: 2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide
• SMILES: CN(C)C(=O)C(O)c1cc(-c2cnc3c(c2)c(-c2ccccc2F)cn3COCC[Si](C)(C)C)cnc1N
• InChI: InChI=1S/C28H34FN5O3Si/c1-33(2)28(36)25(35)22-13-19(14-31-26(22)30)18-12-21-23(20-8-6-7-9-24(20)29)16-34(27(21)32-15-18)17-37-10-11-38(3,4)5/h6-9,12-16,25,35H,10-11,17H2,1-5H3,(H2,30,31)
• InChIKey: HPQLLXUESYFJRV-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 106.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.70
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide?

The IUPAC name of 2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide (CID 59825057) is 2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide.

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

The canonical SMILES for 2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide is CN(C)C(=O)C(O)c1cc(-c2cnc3c(c2)c(-c2ccccc2F)cn3COCC[Si](C)(C)C)cnc1N.

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

The InChIKey is HPQLLXUESYFJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O3Si/c1-33(2)28(36)25(35)22-13-19(14-31-26(22)30)18-12-21-23(20-8-6-7-9-24(20)29)16-34(27(21)32-15-18)17-37-10-11-38(3,4)5/h6-9,12-16,25,35H,10-11,17H2,1-5H3,(H2,30,31).

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

2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide has a molecular weight of 535.70 g/mol, XLogP of 4.92, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-amino-5-[3-(2-fluorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide is sourced from PubChem (CID 59825057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).