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

C66H77IN14O10Si2 — CID 158820646

About 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)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-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)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 158820646) has the molecular formula C66H77IN14O10Si2 and a molecular weight of 1409.51 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)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-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)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: 158820646
• Molecular Formula: C66H77IN14O10Si2
• Molecular Weight: 1409.51 g/mol
• Exact Mass: 1408.45
• IUPAC Name: 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)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(-c4ncco4)c3c2)c1.CN(C)C(=O)C(O)c1cncc(-c2cnc3c(c2)c(-c2ncco2)cn3COCC[Si](C)(C)C)c1.CN(C)C(=O)C(O)c1cncc(-c2cnc3c(c2)c(I)cn3COCC[Si](C)(C)C)c1
• InChI: InChI=1S/C25H31N5O4Si.C22H29IN4O3Si.C19H17N5O3/c1-29(2)25(32)22(31)19-10-17(12-26-13-19)18-11-20-21(24-27-6-7-34-24)15-30(23(20)28-14-18)16-33-8-9-35(3,4)5;1-26(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;1-24(2)19(26)16(25)13-5-11(7-20-8-13)12-6-14-15(18-21-3-4-27-18)10-23-17(14)22-9-12/h6-7,10-15,22,31H,8-9,16H2,1-5H3;8-13,20,28H,6-7,14H2,1-5H3;3-10,16,25H,1-2H3,(H,22,23)
• InChIKey: IVVAAMPNNFGQLC-UHFFFAOYSA-N
• XLogP: 10.73
• TPSA: 295.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1409.51
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

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-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)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-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)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 158820646) is 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)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-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)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-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)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(-c4ncco4)c3c2)c1.CN(C)C(=O)C(O)c1cncc(-c2cnc3c(c2)c(-c2ncco2)cn3COCC[Si](C)(C)C)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-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)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 IVVAAMPNNFGQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4Si.C22H29IN4O3Si.C19H17N5O3/c1-29(2)25(32)22(31)19-10-17(12-26-13-19)18-11-20-21(24-27-6-7-34-24)15-30(23(20)28-14-18)16-33-8-9-35(3,4)5;1-26(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;1-24(2)19(26)16(25)13-5-11(7-20-8-13)12-6-14-15(18-21-3-4-27-18)10-23-17(14)22-9-12/h6-7,10-15,22,31H,8-9,16H2,1-5H3;8-13,20,28H,6-7,14H2,1-5H3;3-10,16,25H,1-2H3,(H,22,23).

What are the key properties of 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)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-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)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 1409.51 g/mol, XLogP of 10.73, 21 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)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 158820646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).