2-[5-[3-[(E)-4-(dimethylamino)but-2-enoyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1H-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

C74H93N17O9Si2 — CID 159809452

About 2-[5-[3-[(E)-4-(dimethylamino)but-2-enoyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1H-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

2-[5-[3-[(E)-4-(dimethylamino)but-2-enoyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1H-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 159809452) has the molecular formula C74H93N17O9Si2 and a molecular weight of 1420.84 g/mol. Its IUPAC name is 2-[5-[3-[(E)-4-(dimethylamino)but-2-enoyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1H-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.

Molecular Properties

• Compound Name: 2-[5-[3-[(E)-4-(dimethylamino)but-2-enoyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1H-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: 159809452
• Molecular Formula: C74H93N17O9Si2
• Molecular Weight: 1420.84 g/mol
• Exact Mass: 1419.69
• IUPAC Name: 2-[5-[3-[(E)-4-(dimethylamino)but-2-enoyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1H-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
• SMILES: CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccnn4C)c3c2)c1.CN(C)C(=O)C(O)c1cncc(-c2cnc3c(c2)c(-c2ccnn2C)cn3COCC[Si](C)(C)C)c1.CN(C)C/C=C/C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12
• InChI: InChI=1S/C28H39N5O4Si.C26H34N6O3Si.C20H20N6O2/c1-31(2)10-8-9-25(34)24-18-33(19-37-11-12-38(5,6)7)27-23(24)14-21(17-30-27)20-13-22(16-29-15-20)26(35)28(36)32(3)4;1-30(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;1-25(2)20(28)18(27)14-6-12(8-21-9-14)13-7-15-16(11-23-19(15)22-10-13)17-4-5-24-26(17)3/h8-9,13-18,26,35H,10-12,19H2,1-7H3;7-8,11-16,24,33H,9-10,17H2,1-6H3;4-11,18,27H,1-3H3,(H,22,23)/b9-8+
• InChIKey: NKVJIVOZQUDYIB-YEUQMBKVSA-N
• XLogP: 9.91
• TPSA: 299.02 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1420.84
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[(E)-4-(dimethylamino)but-2-enoyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1H-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?

The IUPAC name of 2-[5-[3-[(E)-4-(dimethylamino)but-2-enoyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1H-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 (CID 159809452) is 2-[5-[3-[(E)-4-(dimethylamino)but-2-enoyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1H-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.

What is the SMILES notation for 2-[5-[3-[(E)-4-(dimethylamino)but-2-enoyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1H-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?

The canonical SMILES for 2-[5-[3-[(E)-4-(dimethylamino)but-2-enoyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1H-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 is CN(C)C(=O)C(O)c1cncc(-c2cnc3[nH]cc(-c4ccnn4C)c3c2)c1.CN(C)C(=O)C(O)c1cncc(-c2cnc3c(c2)c(-c2ccnn2C)cn3COCC[Si](C)(C)C)c1.CN(C)C/C=C/C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cncc(C(O)C(=O)N(C)C)c3)cc12.

What is the InChIKey of 2-[5-[3-[(E)-4-(dimethylamino)but-2-enoyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1H-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?

The InChIKey is NKVJIVOZQUDYIB-YEUQMBKVSA-N. The full InChI is InChI=1S/C28H39N5O4Si.C26H34N6O3Si.C20H20N6O2/c1-31(2)10-8-9-25(34)24-18-33(19-37-11-12-38(5,6)7)27-23(24)14-21(17-30-27)20-13-22(16-29-15-20)26(35)28(36)32(3)4;1-30(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;1-25(2)20(28)18(27)14-6-12(8-21-9-14)13-7-15-16(11-23-19(15)22-10-13)17-4-5-24-26(17)3/h8-9,13-18,26,35H,10-12,19H2,1-7H3;7-8,11-16,24,33H,9-10,17H2,1-6H3;4-11,18,27H,1-3H3,(H,22,23)/b9-8+;;.

What are the key properties of 2-[5-[3-[(E)-4-(dimethylamino)but-2-enoyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1H-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?

2-[5-[3-[(E)-4-(dimethylamino)but-2-enoyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1H-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 1420.84 g/mol, XLogP of 9.91, 25 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[3-[(E)-4-(dimethylamino)but-2-enoyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-2-hydroxy-N,N-dimethylacetamide;2-hydroxy-N,N-dimethyl-2-[5-[3-(2-methylpyrazol-3-yl)-1H-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 is sourced from PubChem (CID 159809452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).