tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate

C26H35N7O4 — CID 164945363

About tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate (PubChem CID 164945363) has the molecular formula C26H35N7O4 and a molecular weight of 509.61 g/mol. Its IUPAC name is tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate
• PubChem CID: 164945363
• Molecular Formula: C26H35N7O4
• Molecular Weight: 509.61 g/mol
• Exact Mass: 509.28
• IUPAC Name: tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate
• SMILES: COCCNC(=O)c1cn2cc(-c3ccncc3)nc(NCC3CCN(C(=O)OC(C)(C)C)CC3)c2n1
• InChI: InChI=1S/C26H35N7O4/c1-26(2,3)37-25(35)32-12-7-18(8-13-32)15-29-22-23-31-21(24(34)28-11-14-36-4)17-33(23)16-20(30-22)19-5-9-27-10-6-19/h5-6,9-10,16-18H,7-8,11-15H2,1-4H3,(H,28,34)(H,29,30)
• InChIKey: OQBRWSPHZWPRCC-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 122.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.61
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate (CID 164945363) is tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate is COCCNC(=O)c1cn2cc(-c3ccncc3)nc(NCC3CCN(C(=O)OC(C)(C)C)CC3)c2n1.

What is the InChIKey of tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate?

The InChIKey is OQBRWSPHZWPRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O4/c1-26(2,3)37-25(35)32-12-7-18(8-13-32)15-29-22-23-31-21(24(34)28-11-14-36-4)17-33(23)16-20(30-22)19-5-9-27-10-6-19/h5-6,9-10,16-18H,7-8,11-15H2,1-4H3,(H,28,34)(H,29,30).

What are the key properties of tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate?

tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 509.61 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[[[2-(2-methoxyethylcarbamoyl)-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 164945363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).