4-amino-5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

C33H36FN7O2Si — CID 145404333

About 4-amino-5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 145404333) has the molecular formula C33H36FN7O2Si and a molecular weight of 609.78 g/mol. Its IUPAC name is 4-amino-5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 4-amino-5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 145404333
• Molecular Formula: C33H36FN7O2Si
• Molecular Weight: 609.78 g/mol
• Exact Mass: 609.27
• IUPAC Name: 4-amino-5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: Cc1ccc(C2(C)C(=O)Nc3nc(-c4cn5ccnc5c(Cc5cccc(F)c5)n4)nc(N)c32)cc1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C33H36FN7O2Si/c1-19-11-12-21(17-25(19)43-44(6,7)32(2,3)4)33(5)26-27(35)38-28(39-29(26)40-31(33)42)24-18-41-14-13-36-30(41)23(37-24)16-20-9-8-10-22(34)15-20/h8-15,17-18H,16H2,1-7H3,(H3,35,38,39,40,42)
• InChIKey: CLSCCVJRVXNYCY-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 120.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.78
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	2
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 4-amino-5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 4-amino-5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one (CID 145404333) is 4-amino-5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 4-amino-5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 4-amino-5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1ccc(C2(C)C(=O)Nc3nc(-c4cn5ccnc5c(Cc5cccc(F)c5)n4)nc(N)c32)cc1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 4-amino-5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is CLSCCVJRVXNYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN7O2Si/c1-19-11-12-21(17-25(19)43-44(6,7)32(2,3)4)33(5)26-27(35)38-28(39-29(26)40-31(33)42)24-18-41-14-13-36-30(41)23(37-24)16-20-9-8-10-22(34)15-20/h8-15,17-18H,16H2,1-7H3,(H3,35,38,39,40,42).

What are the key properties of 4-amino-5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one?

4-amino-5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 609.78 g/mol, XLogP of 6.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-[3-[tert-butyl(dimethyl)silyl]oxy-4-methylphenyl]-2-[8-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 145404333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).