2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(3-hydroxy-3-methylbutyl)-5,5-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-one

C32H41FN6O3Si — CID 123562135

About 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(3-hydroxy-3-methylbutyl)-5,5-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-one

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(3-hydroxy-3-methylbutyl)-5,5-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 123562135) has the molecular formula C32H41FN6O3Si and a molecular weight of 604.80 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(3-hydroxy-3-methylbutyl)-5,5-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(3-hydroxy-3-methylbutyl)-5,5-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-one
• PubChem CID: 123562135
• Molecular Formula: C32H41FN6O3Si
• Molecular Weight: 604.80 g/mol
• Exact Mass: 604.30
• IUPAC Name: 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(3-hydroxy-3-methylbutyl)-5,5-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-one
• SMILES: CC(C)(O)CCc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1C(C)(C)C(=O)N2COCC[Si](C)(C)C
• InChI: InChI=1S/C32H41FN6O3Si/c1-31(2,41)15-14-24-25-29(38(30(40)32(25,3)4)20-42-17-18-43(5,6)7)36-27(35-24)26-22-12-10-16-34-28(22)39(37-26)19-21-11-8-9-13-23(21)33/h8-13,16,41H,14-15,17-20H2,1-7H3
• InChIKey: GDIIULHITHRBKK-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 106.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.80
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(3-hydroxy-3-methylbutyl)-5,5-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-one?

The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(3-hydroxy-3-methylbutyl)-5,5-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-one (CID 123562135) is 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(3-hydroxy-3-methylbutyl)-5,5-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-one.

What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(3-hydroxy-3-methylbutyl)-5,5-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-one?

The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(3-hydroxy-3-methylbutyl)-5,5-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-one is CC(C)(O)CCc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2c1C(C)(C)C(=O)N2COCC[Si](C)(C)C.

What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(3-hydroxy-3-methylbutyl)-5,5-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-one?

The InChIKey is GDIIULHITHRBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41FN6O3Si/c1-31(2,41)15-14-24-25-29(38(30(40)32(25,3)4)20-42-17-18-43(5,6)7)36-27(35-24)26-22-12-10-16-34-28(22)39(37-26)19-21-11-8-9-13-23(21)33/h8-13,16,41H,14-15,17-20H2,1-7H3.

What are the key properties of 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(3-hydroxy-3-methylbutyl)-5,5-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-one?

2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(3-hydroxy-3-methylbutyl)-5,5-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 604.80 g/mol, XLogP of 5.72, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-(3-hydroxy-3-methylbutyl)-5,5-dimethyl-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 123562135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).