5-bromo-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;5-(cyclohexylmethyl)-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-ethyl-5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;methyl 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate

C91H131Br3N16O13Si3 — CID 160757779

About 5-bromo-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;5-(cyclohexylmethyl)-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-ethyl-5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;methyl 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate

5-bromo-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;5-(cyclohexylmethyl)-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-ethyl-5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;methyl 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate (PubChem CID 160757779) has the molecular formula C91H131Br3N16O13Si3 and a molecular weight of 1981.12 g/mol. Its IUPAC name is 5-bromo-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;5-(cyclohexylmethyl)-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-ethyl-5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;methyl 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: 5-bromo-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;5-(cyclohexylmethyl)-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-ethyl-5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;methyl 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate
• PubChem CID: 160757779
• Molecular Formula: C91H131Br3N16O13Si3
• Molecular Weight: 1981.12 g/mol
• Exact Mass: 1976.69
• IUPAC Name: 5-bromo-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;5-(cyclohexylmethyl)-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-ethyl-5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;methyl 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate
• SMILES: C=CC(=O)N1CCC(Cc2cnc3[nH]cc(C(=O)NCC)c3c2)CC1.CC(C)(C)OC(=O)N1CCC(N)CC1.CCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)cc12.CCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(CC3CCCCC3)cc12.COC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)cc12.O=C(O)c1c[nH]c2ncc(Br)cc12
• InChI: InChI=1S/C23H37N3O2Si.C19H24N4O2.C16H24BrN3O2Si.C15H21BrN2O3Si.C10H20N2O2.C8H5BrN2O2/c1-5-24-23(27)21-16-26(17-28-11-12-29(2,3)4)22-20(21)14-19(15-25-22)13-18-9-7-6-8-10-18;1-3-17(24)23-7-5-13(6-8-23)9-14-10-15-16(19(25)20-4-2)12-22-18(15)21-11-14;1-5-18-16(21)14-10-20(11-22-6-7-23(2,3)4)15-13(14)8-12(17)9-19-15;1-20-15(19)13-9-18(10-21-5-6-22(2,3)4)14-12(13)7-11(16)8-17-14;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;9-4-1-5-6(8(12)13)3-11-7(5)10-2-4/h14-16,18H,5-13,17H2,1-4H3,(H,24,27);3,10-13H,1,4-9H2,2H3,(H,20,25)(H,21,22);8-10H,5-7,11H2,1-4H3,(H,18,21);7-9H,5-6,10H2,1-4H3;8H,4-7,11H2,1-3H3;1-3H,(H,10,11)(H,12,13)
• InChIKey: RXQSJKJPGAFEHL-UHFFFAOYSA-N
• XLogP: 18.63
• TPSA: 365.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1981.12
LogP ≤ 5	18.63
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

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 5-bromo-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;5-(cyclohexylmethyl)-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-ethyl-5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;methyl 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate?

The IUPAC name of 5-bromo-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;5-(cyclohexylmethyl)-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-ethyl-5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;methyl 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate (CID 160757779) is 5-bromo-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;5-(cyclohexylmethyl)-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-ethyl-5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;methyl 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate.

What is the SMILES notation for 5-bromo-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;5-(cyclohexylmethyl)-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-ethyl-5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;methyl 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate?

The canonical SMILES for 5-bromo-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;5-(cyclohexylmethyl)-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-ethyl-5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;methyl 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate is C=CC(=O)N1CCC(Cc2cnc3[nH]cc(C(=O)NCC)c3c2)CC1.CC(C)(C)OC(=O)N1CCC(N)CC1.CCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)cc12.CCNC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(CC3CCCCC3)cc12.COC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)cc12.O=C(O)c1c[nH]c2ncc(Br)cc12.

What is the InChIKey of 5-bromo-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;5-(cyclohexylmethyl)-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-ethyl-5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;methyl 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate?

The InChIKey is RXQSJKJPGAFEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2Si.C19H24N4O2.C16H24BrN3O2Si.C15H21BrN2O3Si.C10H20N2O2.C8H5BrN2O2/c1-5-24-23(27)21-16-26(17-28-11-12-29(2,3)4)22-20(21)14-19(15-25-22)13-18-9-7-6-8-10-18;1-3-17(24)23-7-5-13(6-8-23)9-14-10-15-16(19(25)20-4-2)12-22-18(15)21-11-14;1-5-18-16(21)14-10-20(11-22-6-7-23(2,3)4)15-13(14)8-12(17)9-19-15;1-20-15(19)13-9-18(10-21-5-6-22(2,3)4)14-12(13)7-11(16)8-17-14;1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;9-4-1-5-6(8(12)13)3-11-7(5)10-2-4/h14-16,18H,5-13,17H2,1-4H3,(H,24,27);3,10-13H,1,4-9H2,2H3,(H,20,25)(H,21,22);8-10H,5-7,11H2,1-4H3,(H,18,21);7-9H,5-6,10H2,1-4H3;8H,4-7,11H2,1-3H3;1-3H,(H,10,11)(H,12,13).

What are the key properties of 5-bromo-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;5-(cyclohexylmethyl)-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-ethyl-5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;methyl 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate?

5-bromo-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;5-(cyclohexylmethyl)-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-ethyl-5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;methyl 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate has a molecular weight of 1981.12 g/mol, XLogP of 18.63, 28 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;5-(cyclohexylmethyl)-N-ethyl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide;N-ethyl-5-[(1-prop-2-enoylpiperidin-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;methyl 5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxylate is sourced from PubChem (CID 160757779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).