tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[6-(6-methyl-3-pyridinyl)pyrazin-2-yl]piperazine-1-carboxylate;(6-methyl-3-pyridinyl)boronic acid;2-(6-methyl-3-pyridinyl)-6-piperazin-1-ylpyrazine

C52H69BClN15O6 — CID 158618764

About tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[6-(6-methyl-3-pyridinyl)pyrazin-2-yl]piperazine-1-carboxylate;(6-methyl-3-pyridinyl)boronic acid;2-(6-methyl-3-pyridinyl)-6-piperazin-1-ylpyrazine

tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[6-(6-methyl-3-pyridinyl)pyrazin-2-yl]piperazine-1-carboxylate;(6-methyl-3-pyridinyl)boronic acid;2-(6-methyl-3-pyridinyl)-6-piperazin-1-ylpyrazine (PubChem CID 158618764) has the molecular formula C52H69BClN15O6 and a molecular weight of 1046.49 g/mol. Its IUPAC name is tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[6-(6-methyl-3-pyridinyl)pyrazin-2-yl]piperazine-1-carboxylate;(6-methyl-3-pyridinyl)boronic acid;2-(6-methyl-3-pyridinyl)-6-piperazin-1-ylpyrazine.

Molecular Properties

• Compound Name: tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[6-(6-methyl-3-pyridinyl)pyrazin-2-yl]piperazine-1-carboxylate;(6-methyl-3-pyridinyl)boronic acid;2-(6-methyl-3-pyridinyl)-6-piperazin-1-ylpyrazine
• PubChem CID: 158618764
• Molecular Formula: C52H69BClN15O6
• Molecular Weight: 1046.49 g/mol
• Exact Mass: 1045.53
• IUPAC Name: tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[6-(6-methyl-3-pyridinyl)pyrazin-2-yl]piperazine-1-carboxylate;(6-methyl-3-pyridinyl)boronic acid;2-(6-methyl-3-pyridinyl)-6-piperazin-1-ylpyrazine
• SMILES: CC(C)(C)OC(=O)N1CCN(c2cncc(Cl)n2)CC1.Cc1ccc(-c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cn1.Cc1ccc(-c2cncc(N3CCNCC3)n2)cn1.Cc1ccc(B(O)O)cn1
• InChI: InChI=1S/C19H25N5O2.C14H17N5.C13H19ClN4O2.C6H8BNO2/c1-14-5-6-15(11-21-14)16-12-20-13-17(22-16)23-7-9-24(10-8-23)18(25)26-19(2,3)4;1-11-2-3-12(8-17-11)13-9-16-10-14(18-13)19-6-4-15-5-7-19;1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-9-15-8-10(14)16-11;1-5-2-3-6(4-8-5)7(9)10/h5-6,11-13H,7-10H2,1-4H3;2-3,8-10,15H,4-7H2,1H3;8-9H,4-7H2,1-3H3;2-4,9-10H,1H3
• InChIKey: HXSNCZRVTDLFGY-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 237.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1046.49
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[6-(6-methyl-3-pyridinyl)pyrazin-2-yl]piperazine-1-carboxylate;(6-methyl-3-pyridinyl)boronic acid;2-(6-methyl-3-pyridinyl)-6-piperazin-1-ylpyrazine?

The IUPAC name of tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[6-(6-methyl-3-pyridinyl)pyrazin-2-yl]piperazine-1-carboxylate;(6-methyl-3-pyridinyl)boronic acid;2-(6-methyl-3-pyridinyl)-6-piperazin-1-ylpyrazine (CID 158618764) is tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[6-(6-methyl-3-pyridinyl)pyrazin-2-yl]piperazine-1-carboxylate;(6-methyl-3-pyridinyl)boronic acid;2-(6-methyl-3-pyridinyl)-6-piperazin-1-ylpyrazine.

What is the SMILES notation for tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[6-(6-methyl-3-pyridinyl)pyrazin-2-yl]piperazine-1-carboxylate;(6-methyl-3-pyridinyl)boronic acid;2-(6-methyl-3-pyridinyl)-6-piperazin-1-ylpyrazine?

The canonical SMILES for tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[6-(6-methyl-3-pyridinyl)pyrazin-2-yl]piperazine-1-carboxylate;(6-methyl-3-pyridinyl)boronic acid;2-(6-methyl-3-pyridinyl)-6-piperazin-1-ylpyrazine is CC(C)(C)OC(=O)N1CCN(c2cncc(Cl)n2)CC1.Cc1ccc(-c2cncc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)cn1.Cc1ccc(-c2cncc(N3CCNCC3)n2)cn1.Cc1ccc(B(O)O)cn1.

What is the InChIKey of tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[6-(6-methyl-3-pyridinyl)pyrazin-2-yl]piperazine-1-carboxylate;(6-methyl-3-pyridinyl)boronic acid;2-(6-methyl-3-pyridinyl)-6-piperazin-1-ylpyrazine?

The InChIKey is HXSNCZRVTDLFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.C14H17N5.C13H19ClN4O2.C6H8BNO2/c1-14-5-6-15(11-21-14)16-12-20-13-17(22-16)23-7-9-24(10-8-23)18(25)26-19(2,3)4;1-11-2-3-12(8-17-11)13-9-16-10-14(18-13)19-6-4-15-5-7-19;1-13(2,3)20-12(19)18-6-4-17(5-7-18)11-9-15-8-10(14)16-11;1-5-2-3-6(4-8-5)7(9)10/h5-6,11-13H,7-10H2,1-4H3;2-3,8-10,15H,4-7H2,1H3;8-9H,4-7H2,1-3H3;2-4,9-10H,1H3.

What are the key properties of tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[6-(6-methyl-3-pyridinyl)pyrazin-2-yl]piperazine-1-carboxylate;(6-methyl-3-pyridinyl)boronic acid;2-(6-methyl-3-pyridinyl)-6-piperazin-1-ylpyrazine?

tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[6-(6-methyl-3-pyridinyl)pyrazin-2-yl]piperazine-1-carboxylate;(6-methyl-3-pyridinyl)boronic acid;2-(6-methyl-3-pyridinyl)-6-piperazin-1-ylpyrazine has a molecular weight of 1046.49 g/mol, XLogP of 5.42, 6 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;tert-butyl 4-[6-(6-methyl-3-pyridinyl)pyrazin-2-yl]piperazine-1-carboxylate;(6-methyl-3-pyridinyl)boronic acid;2-(6-methyl-3-pyridinyl)-6-piperazin-1-ylpyrazine is sourced from PubChem (CID 158618764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).