4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1-dimethoxypropan-2-one;hydrate

C₆₀H₆₆N₆O₉Si — CID 158833711

About 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1-dimethoxypropan-2-one;hydrate

4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1-dimethoxypropan-2-one;hydrate (PubChem CID 158833711) has the molecular formula C₆₀H₆₆N₆O₉Si and a molecular weight of 1043.31 g/mol. Its IUPAC name is 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1-dimethoxypropan-2-one;hydrate.

Molecular Properties

• Compound Name: 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1-dimethoxypropan-2-one;hydrate
• PubChem CID: 158833711
• Molecular Formula: C₆₀H₆₆N₆O₉Si
• Molecular Weight: 1043.31 g/mol
• Exact Mass: 1042.47
• IUPAC Name: 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1-dimethoxypropan-2-one;hydrate
• SMILES: COC(OC)C(=O)Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1.Nc1ncc(-c2ccc(O)cc2)nc1Cc1ccccc1.O.Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1
• InChI: InChI=1S/C26H21N3O3.C17H15N3O.C17H28O4Si.H2O/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17;18-17-15(10-12-4-2-1-3-5-12)20-16(11-19-17)13-6-8-14(21)9-7-13;1-17(2,3)22(6,7)21-14-10-8-13(9-11-14)12-15(18)16(19-4)20-5;/h1-13,16,30-32H,14-15H2;1-9,11,21H,10H2,(H2,18,19);8-11,16H,12H2,1-7H3;1H2
• InChIKey: YDKQJORYFKWXTJ-UHFFFAOYSA-N
• XLogP: 10.69
• TPSA: 239.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1043.31
LogP ≤ 5	10.69
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1-dimethoxypropan-2-one;hydrate?

The IUPAC name of 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1-dimethoxypropan-2-one;hydrate (CID 158833711) is 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1-dimethoxypropan-2-one;hydrate.

What is the SMILES notation for 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1-dimethoxypropan-2-one;hydrate?

The canonical SMILES for 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1-dimethoxypropan-2-one;hydrate is COC(OC)C(=O)Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1.Nc1ncc(-c2ccc(O)cc2)nc1Cc1ccccc1.O.Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.

What is the InChIKey of 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1-dimethoxypropan-2-one;hydrate?

The InChIKey is YDKQJORYFKWXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3.C17H15N3O.C17H28O4Si.H2O/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17;18-17-15(10-12-4-2-1-3-5-12)20-16(11-19-17)13-6-8-14(21)9-7-13;1-17(2,3)22(6,7)21-14-10-8-13(9-11-14)12-15(18)16(19-4)20-5;/h1-13,16,30-32H,14-15H2;1-9,11,21H,10H2,(H2,18,19);8-11,16H,12H2,1-7H3;1H2.

What are the key properties of 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1-dimethoxypropan-2-one;hydrate?

4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1-dimethoxypropan-2-one;hydrate has a molecular weight of 1043.31 g/mol, XLogP of 10.69, 15 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-amino-6-benzylpyrazin-2-yl)phenol;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,1-dimethoxypropan-2-one;hydrate is sourced from PubChem (CID 158833711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158833711 — identifiers, structure, computed properties (public domain)

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