tert-butyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[1,2-a]pyrazin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxylate

C30H38ClN3O4SSi — CID 67429268

About tert-butyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[1,2-a]pyrazin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxylate

tert-butyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[1,2-a]pyrazin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxylate (PubChem CID 67429268) has the molecular formula C30H38ClN3O4SSi and a molecular weight of 600.26 g/mol. Its IUPAC name is tert-butyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[1,2-a]pyrazin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[1,2-a]pyrazin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxylate
• PubChem CID: 67429268
• Molecular Formula: C30H38ClN3O4SSi
• Molecular Weight: 600.26 g/mol
• Exact Mass: 599.20
• IUPAC Name: tert-butyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[1,2-a]pyrazin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxylate
• SMILES: C[C@@H](Oc1cc(-c2cnc3cnc(CO[Si](C)(C)C(C)(C)C)cn23)sc1C(=O)OC(C)(C)C)c1ccccc1Cl
• InChI: InChI=1S/C30H38ClN3O4SSi/c1-19(21-12-10-11-13-22(21)31)37-24-14-25(39-27(24)28(35)38-29(2,3)4)23-15-33-26-16-32-20(17-34(23)26)18-36-40(8,9)30(5,6)7/h10-17,19H,18H2,1-9H3/t19-/m1/s1
• InChIKey: IFSBVLXOTMBHAS-LJQANCHMSA-N
• XLogP: 8.73
• TPSA: 74.95 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.26
LogP ≤ 5	8.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[1,2-a]pyrazin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxylate?

The IUPAC name of tert-butyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[1,2-a]pyrazin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxylate (CID 67429268) is tert-butyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[1,2-a]pyrazin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxylate.

What is the SMILES notation for tert-butyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[1,2-a]pyrazin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxylate?

The canonical SMILES for tert-butyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[1,2-a]pyrazin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxylate is C[C@@H](Oc1cc(-c2cnc3cnc(CO[Si](C)(C)C(C)(C)C)cn23)sc1C(=O)OC(C)(C)C)c1ccccc1Cl.

What is the InChIKey of tert-butyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[1,2-a]pyrazin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxylate?

The InChIKey is IFSBVLXOTMBHAS-LJQANCHMSA-N. The full InChI is InChI=1S/C30H38ClN3O4SSi/c1-19(21-12-10-11-13-22(21)31)37-24-14-25(39-27(24)28(35)38-29(2,3)4)23-15-33-26-16-32-20(17-34(23)26)18-36-40(8,9)30(5,6)7/h10-17,19H,18H2,1-9H3/t19-/m1/s1.

What are the key properties of tert-butyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[1,2-a]pyrazin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxylate?

tert-butyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[1,2-a]pyrazin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxylate has a molecular weight of 600.26 g/mol, XLogP of 8.73, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 5-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazo[1,2-a]pyrazin-3-yl]-3-[(1R)-1-(2-chlorophenyl)ethoxy]thiophene-2-carboxylate is sourced from PubChem (CID 67429268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).