3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate

C62H70N6O9Si — CID 159566063

IUPAC3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1.CCOC(OCC)C(=O)Cc1ccc(O)cc1.O.Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1
InChIInChI=1S/C26H21N3O3.C23H29N3OSi.C13H18O4.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;1-23(2,3)28(4,5)27-19-13-11-18(12-14-19)21-16-25-22(24)20(26-21)15-17-9-7-6-8-10-17;1-3-16-13(17-4-2)12(15)9-10-5-7-11(14)8-6-10;/h1-13,16,30-32H,14-15H2;6-14,16H,15H2,1-5H3,(H2,24,25);5-8,13-14H,3-4,9H2,1-2H3;1H2
InChIKeyCLTNSDWFIUVQKE-UHFFFAOYSA-N
MW1071.36 g/mol
LogP11.47
Rot. Bonds17

About 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate

3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate (PubChem CID 159566063) has the molecular formula C62H70N6O9Si and a molecular weight of 1071.36 g/mol. Its IUPAC name is 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate.

Molecular Properties

Compound Name3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate
PubChem CID159566063
Molecular FormulaC62H70N6O9Si
Molecular Weight1071.36 g/mol
Exact Mass1070.50
IUPAC Name3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1.CCOC(OCC)C(=O)Cc1ccc(O)cc1.O.Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1
InChIInChI=1S/C26H21N3O3.C23H29N3OSi.C13H18O4.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;1-23(2,3)28(4,5)27-19-13-11-18(12-14-19)21-16-25-22(24)20(26-21)15-17-9-7-6-8-10-17;1-3-16-13(17-4-2)12(15)9-10-5-7-11(14)8-6-10;/h1-13,16,30-32H,14-15H2;6-14,16H,15H2,1-5H3,(H2,24,25);5-8,13-14H,3-4,9H2,1-2H3;1H2
InChIKeyCLTNSDWFIUVQKE-UHFFFAOYSA-N
XLogP11.47
TPSA239.17 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001071.36
LogP ≤ 511.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate?
The IUPAC name of 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate (CID 159566063) is 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate.
What is the SMILES notation for 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate?
The canonical SMILES for 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate is CC(C)(C)[Si](C)(C)Oc1ccc(-c2cnc(N)c(Cc3ccccc3)n2)cc1.CCOC(OCC)C(=O)Cc1ccc(O)cc1.O.Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2O)cc1.
What is the InChIKey of 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate?
The InChIKey is CLTNSDWFIUVQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3.C23H29N3OSi.C13H18O4.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;1-23(2,3)28(4,5)27-19-13-11-18(12-14-19)21-16-25-22(24)20(26-21)15-17-9-7-6-8-10-17;1-3-16-13(17-4-2)12(15)9-10-5-7-11(14)8-6-10;/h1-13,16,30-32H,14-15H2;6-14,16H,15H2,1-5H3,(H2,24,25);5-8,13-14H,3-4,9H2,1-2H3;1H2.
What are the key properties of 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate?
3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate has a molecular weight of 1071.36 g/mol, XLogP of 11.47, 17 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine;8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol;1,1-diethoxy-3-(4-hydroxyphenyl)propan-2-one;hydrate is sourced from PubChem (CID 159566063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).