2-hydroxy-N,N-dimethyl-2-[5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-2-[5-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide

C43H48F3IN10O5Si — CID 161393346

About 2-hydroxy-N,N-dimethyl-2-[5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-2-[5-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide

2-hydroxy-N,N-dimethyl-2-[5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-2-[5-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide (PubChem CID 161393346) has the molecular formula C43H48F3IN10O5Si and a molecular weight of 996.91 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-2-[5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-2-[5-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-hydroxy-N,N-dimethyl-2-[5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-2-[5-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide
• PubChem CID: 161393346
• Molecular Formula: C43H48F3IN10O5Si
• Molecular Weight: 996.91 g/mol
• Exact Mass: 996.26
• IUPAC Name: 2-hydroxy-N,N-dimethyl-2-[5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-2-[5-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide
• SMILES: CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4cc(C(F)(F)F)nn4C)c3c2)c1.CN(C)C(=O)C(O)c1cncc(-c2cnc3c(c2)c(I)cn3COCC[Si](C)(C)C)c1
• InChI: InChI=1S/C22H29IN4O3Si.C21H19F3N6O2/c1-26(2)22(29)20(28)17-8-15(10-24-11-17)16-9-18-19(23)13-27(21(18)25-12-16)14-30-6-7-31(3,4)5;1-29(2)20(32)18(31)13-4-11(7-25-8-13)12-5-14-15(10-27-19(14)26-9-12)16-6-17(21(22,23)24)28-30(16)3/h8-13,20,28H,6-7,14H2,1-5H3;4-10,18,31H,1-3H3,(H,26,27)
• InChIKey: VTGVQNWUVFZTLD-UHFFFAOYSA-N
• XLogP: 7.30
• TPSA: 180.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	996.91
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-2-[5-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?

The IUPAC name of 2-hydroxy-N,N-dimethyl-2-[5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-2-[5-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide (CID 161393346) is 2-hydroxy-N,N-dimethyl-2-[5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-2-[5-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-hydroxy-N,N-dimethyl-2-[5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-2-[5-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?

The canonical SMILES for 2-hydroxy-N,N-dimethyl-2-[5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-2-[5-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide is CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4cc(C(F)(F)F)nn4C)c3c2)c1.CN(C)C(=O)C(O)c1cncc(-c2cnc3c(c2)c(I)cn3COCC[Si](C)(C)C)c1.

What is the InChIKey of 2-hydroxy-N,N-dimethyl-2-[5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-2-[5-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?

The InChIKey is VTGVQNWUVFZTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29IN4O3Si.C21H19F3N6O2/c1-26(2)22(29)20(28)17-8-15(10-24-11-17)16-9-18-19(23)13-27(21(18)25-12-16)14-30-6-7-31(3,4)5;1-29(2)20(32)18(31)13-4-11(7-25-8-13)12-5-14-15(10-27-19(14)26-9-12)16-6-17(21(22,23)24)28-30(16)3/h8-13,20,28H,6-7,14H2,1-5H3;4-10,18,31H,1-3H3,(H,26,27).

What are the key properties of 2-hydroxy-N,N-dimethyl-2-[5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-2-[5-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide?

2-hydroxy-N,N-dimethyl-2-[5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-2-[5-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide has a molecular weight of 996.91 g/mol, XLogP of 7.30, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N,N-dimethyl-2-[5-[3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-2-[5-[3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylacetamide is sourced from PubChem (CID 161393346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).