2-bromo-4-pyrrolidin-1-ylpyridine;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one

C72H97Br2N15O5Si2 — CID 158846026

About 2-bromo-4-pyrrolidin-1-ylpyridine;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one

2-bromo-4-pyrrolidin-1-ylpyridine;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one (PubChem CID 158846026) has the molecular formula C72H97Br2N15O5Si2 and a molecular weight of 1468.65 g/mol. Its IUPAC name is 2-bromo-4-pyrrolidin-1-ylpyridine;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-bromo-4-pyrrolidin-1-ylpyridine;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
• PubChem CID: 158846026
• Molecular Formula: C72H97Br2N15O5Si2
• Molecular Weight: 1468.65 g/mol
• Exact Mass: 1465.57
• IUPAC Name: 2-bromo-4-pyrrolidin-1-ylpyridine;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
• SMILES: Brc1cc(N2CCCC2)ccn1.CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cc(N4CCCC4)ccn3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cc(N4CCCC4)ccn3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12
• InChI: InChI=1S/C26H37N5O2Si.C20H23N5O.C17H26BrN3O2Si.C9H11BrN2/c1-26(2,3)24(32)20-17-31(18-33-13-14-34(4,5)6)25-23(20)29-22(16-28-25)21-15-19(9-10-27-21)30-11-7-8-12-30;1-20(2,3)18(26)14-11-22-19-17(14)24-16(12-23-19)15-10-13(6-7-21-15)25-8-4-5-9-25;1-17(2,3)15(22)12-10-21(11-23-7-8-24(4,5)6)16-14(12)20-13(18)9-19-16;10-9-7-8(3-4-11-9)12-5-1-2-6-12/h9-10,15-17H,7-8,11-14,18H2,1-6H3;6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,23);9-10H,7-8,11H2,1-6H3;3-4,7H,1-2,5-6H2
• InChIKey: IYVOCGJWKLTJPB-UHFFFAOYSA-N
• XLogP: 16.66
• TPSA: 221.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1468.65
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-pyrrolidin-1-ylpyridine;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?

The IUPAC name of 2-bromo-4-pyrrolidin-1-ylpyridine;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one (CID 158846026) is 2-bromo-4-pyrrolidin-1-ylpyridine;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one.

What is the SMILES notation for 2-bromo-4-pyrrolidin-1-ylpyridine;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?

The canonical SMILES for 2-bromo-4-pyrrolidin-1-ylpyridine;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one is Brc1cc(N2CCCC2)ccn1.CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cc(N4CCCC4)ccn3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cc(N4CCCC4)ccn3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.

What is the InChIKey of 2-bromo-4-pyrrolidin-1-ylpyridine;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?

The InChIKey is IYVOCGJWKLTJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O2Si.C20H23N5O.C17H26BrN3O2Si.C9H11BrN2/c1-26(2,3)24(32)20-17-31(18-33-13-14-34(4,5)6)25-23(20)29-22(16-28-25)21-15-19(9-10-27-21)30-11-7-8-12-30;1-20(2,3)18(26)14-11-22-19-17(14)24-16(12-23-19)15-10-13(6-7-21-15)25-8-4-5-9-25;1-17(2,3)15(22)12-10-21(11-23-7-8-24(4,5)6)16-14(12)20-13(18)9-19-16;10-9-7-8(3-4-11-9)12-5-1-2-6-12/h9-10,15-17H,7-8,11-14,18H2,1-6H3;6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,23);9-10H,7-8,11H2,1-6H3;3-4,7H,1-2,5-6H2.

What are the key properties of 2-bromo-4-pyrrolidin-1-ylpyridine;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?

2-bromo-4-pyrrolidin-1-ylpyridine;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one has a molecular weight of 1468.65 g/mol, XLogP of 16.66, 18 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-4-pyrrolidin-1-ylpyridine;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;2,2-dimethyl-1-[2-(4-pyrrolidin-1-yl-2-pyridinyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 158846026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).