2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid

C27H31N3O5Si — CID 59825066

About 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid

2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid (PubChem CID 59825066) has the molecular formula C27H31N3O5Si and a molecular weight of 505.65 g/mol. Its IUPAC name is 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid.

Molecular Properties

• Compound Name: 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid
• PubChem CID: 59825066
• Molecular Formula: C27H31N3O5Si
• Molecular Weight: 505.65 g/mol
• Exact Mass: 505.20
• IUPAC Name: 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid
• SMILES: COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(O)C(=O)O)c3)cc12
• InChI: InChI=1S/C27H31N3O5Si/c1-34-23-11-6-5-10-21(23)24-22-15-20(18-8-7-9-19(14-18)25(31)27(32)33)16-28-26(22)30(29-24)17-35-12-13-36(2,3)4/h5-11,14-16,25,31H,12-13,17H2,1-4H3,(H,32,33)
• InChIKey: ZKVILGXAFBLIHT-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 106.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.65
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid?

The IUPAC name of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid (CID 59825066) is 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid.

What is the SMILES notation for 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid?

The canonical SMILES for 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid is COc1ccccc1-c1nn(COCC[Si](C)(C)C)c2ncc(-c3cccc(C(O)C(=O)O)c3)cc12.

What is the InChIKey of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid?

The InChIKey is ZKVILGXAFBLIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O5Si/c1-34-23-11-6-5-10-21(23)24-22-15-20(18-8-7-9-19(14-18)25(31)27(32)33)16-28-26(22)30(29-24)17-35-12-13-36(2,3)4/h5-11,14-16,25,31H,12-13,17H2,1-4H3,(H,32,33).

What are the key properties of 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid?

2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid has a molecular weight of 505.65 g/mol, XLogP of 5.20, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-2-[3-[3-(2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-5-yl]phenyl]acetic acid is sourced from PubChem (CID 59825066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).