2-[(5-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1,3-oxazole;5-(1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;prop-2-enenitrile

C₁₀₄H₁₄₀BrCl₂N₂₅O₁₂Si₃ — CID 159618962

About 2-[(5-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1,3-oxazole;5-(1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;prop-2-enenitrile

2-[(5-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1,3-oxazole;5-(1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;prop-2-enenitrile (PubChem CID 159618962) has the molecular formula C₁₀₄H₁₄₀BrCl₂N₂₅O₁₂Si₃ and a molecular weight of 2167.49 g/mol. Its IUPAC name is 2-[(5-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1,3-oxazole;5-(1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;prop-2-enenitrile.

Molecular Properties

• Compound Name: 2-[(5-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1,3-oxazole;5-(1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;prop-2-enenitrile
• PubChem CID: 159618962
• Molecular Formula: C₁₀₄H₁₄₀BrCl₂N₂₅O₁₂Si₃
• Molecular Weight: 2167.49 g/mol
• Exact Mass: 2163.90
• IUPAC Name: 2-[(5-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1,3-oxazole;5-(1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;prop-2-enenitrile
• SMILES: C=CC#N.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3ncco3)cnc3c2ccn3COCC[Si](C)(C)C)C1.C[Si](C)(C)CCOCn1ccc2c(Cl)c(-c3ncco3)cnc21.C[Si](C)(C)CCOCn1ccc2c(Cl)c(Br)cnc21.N#CCCN1CCC[C@@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)C1.c1coc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)n1.c1cocn1
• InChI: InChI=1S/C26H39N5O4Si.C18H20N6O.C16H20ClN3O2Si.C15H17N5O.C13H18BrClN2OSi.C10H20N2O2.C3H3NO.C3H3N/c1-26(2,3)35-25(32)30-11-7-8-19(17-30)29-22-20-9-12-31(18-33-14-15-36(4,5)6)23(20)28-16-21(22)24-27-10-13-34-24;19-5-2-9-24-8-1-3-13(12-24)23-16-14-4-6-20-17(14)22-11-15(16)18-21-7-10-25-18;1-23(2,3)9-8-21-11-20-6-4-12-14(17)13(10-19-15(12)20)16-18-5-7-22-16;1-2-10(8-16-4-1)20-13-11-3-5-17-14(11)19-9-12(13)15-18-6-7-21-15;1-19(2,3)7-6-18-9-17-5-4-10-12(15)11(14)8-16-13(10)17;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-2-5-3-4-1;1-2-3-4/h9-10,12-13,16,19H,7-8,11,14-15,17-18H2,1-6H3,(H,28,29);4,6-7,10-11,13H,1-3,8-9,12H2,(H2,20,22,23);4-7,10H,8-9,11H2,1-3H3;3,5-7,9-10,16H,1-2,4,8H2,(H2,17,19,20);4-5,8H,6-7,9H2,1-3H3;8H,4-7,11H2,1-3H3;1-3H;2H,1H2/t19-;13-;;10-;;8-;;/m11.1.1../s1
• InChIKey: MNQLLPDZMJFUEQ-NCODGDNJSA-N
• XLogP: 23.34
• TPSA: 452.70 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2167.49
LogP ≤ 5	23.34
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1,3-oxazole;5-(1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;prop-2-enenitrile?

The IUPAC name of 2-[(5-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1,3-oxazole;5-(1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;prop-2-enenitrile (CID 159618962) is 2-[(5-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1,3-oxazole;5-(1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;prop-2-enenitrile.

What is the SMILES notation for 2-[(5-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1,3-oxazole;5-(1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;prop-2-enenitrile?

The canonical SMILES for 2-[(5-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1,3-oxazole;5-(1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;prop-2-enenitrile is C=CC#N.CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.CC(C)(C)OC(=O)N1CCC[C@@H](Nc2c(-c3ncco3)cnc3c2ccn3COCC[Si](C)(C)C)C1.C[Si](C)(C)CCOCn1ccc2c(Cl)c(-c3ncco3)cnc21.C[Si](C)(C)CCOCn1ccc2c(Cl)c(Br)cnc21.N#CCCN1CCC[C@@H](Nc2c(-c3ncco3)cnc3[nH]ccc23)C1.c1coc(-c2cnc3[nH]ccc3c2N[C@@H]2CCCNC2)n1.c1cocn1.

What is the InChIKey of 2-[(5-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1,3-oxazole;5-(1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;prop-2-enenitrile?

The InChIKey is MNQLLPDZMJFUEQ-NCODGDNJSA-N. The full InChI is InChI=1S/C26H39N5O4Si.C18H20N6O.C16H20ClN3O2Si.C15H17N5O.C13H18BrClN2OSi.C10H20N2O2.C3H3NO.C3H3N/c1-26(2,3)35-25(32)30-11-7-8-19(17-30)29-22-20-9-12-31(18-33-14-15-36(4,5)6)23(20)28-16-21(22)24-27-10-13-34-24;19-5-2-9-24-8-1-3-13(12-24)23-16-14-4-6-20-17(14)22-11-15(16)18-21-7-10-25-18;1-23(2,3)9-8-21-11-20-6-4-12-14(17)13(10-19-15(12)20)16-18-5-7-22-16;1-2-10(8-16-4-1)20-13-11-3-5-17-14(11)19-9-12(13)15-18-6-7-21-15;1-19(2,3)7-6-18-9-17-5-4-10-12(15)11(14)8-16-13(10)17;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12;1-2-5-3-4-1;1-2-3-4/h9-10,12-13,16,19H,7-8,11,14-15,17-18H2,1-6H3,(H,28,29);4,6-7,10-11,13H,1-3,8-9,12H2,(H2,20,22,23);4-7,10H,8-9,11H2,1-3H3;3,5-7,9-10,16H,1-2,4,8H2,(H2,17,19,20);4-5,8H,6-7,9H2,1-3H3;8H,4-7,11H2,1-3H3;1-3H;2H,1H2/t19-;13-;;10-;;8-;;/m11.1.1../s1.

What are the key properties of 2-[(5-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1,3-oxazole;5-(1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;prop-2-enenitrile?

2-[(5-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1,3-oxazole;5-(1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;prop-2-enenitrile has a molecular weight of 2167.49 g/mol, XLogP of 23.34, 27 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-bromo-4-chloropyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[5-(1,3-oxazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;2-[[4-chloro-5-(1,3-oxazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;1,3-oxazole;5-(1,3-oxazol-2-yl)-N-[(3R)-piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-amine;3-[(3R)-3-[[5-(1,3-oxazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]propanenitrile;prop-2-enenitrile is sourced from PubChem (CID 159618962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159618962 — identifiers, structure, computed properties (public domain)

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