2-[[5-(3-cyclopropyloxyphenyl)-1-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid

C30H38N4O5Si — CID 140877315

About 2-[[5-(3-cyclopropyloxyphenyl)-1-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid

2-[[5-(3-cyclopropyloxyphenyl)-1-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid (PubChem CID 140877315) has the molecular formula C30H38N4O5Si and a molecular weight of 562.74 g/mol. Its IUPAC name is 2-[[5-(3-cyclopropyloxyphenyl)-1-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid.

Molecular Properties

• Compound Name: 2-[[5-(3-cyclopropyloxyphenyl)-1-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid
• PubChem CID: 140877315
• Molecular Formula: C30H38N4O5Si
• Molecular Weight: 562.74 g/mol
• Exact Mass: 562.26
• IUPAC Name: 2-[[5-(3-cyclopropyloxyphenyl)-1-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid
• SMILES: CC(C)(OCc1cc(-c2cccc(OC3CC3)c2)n(-c2cccc3cnn(COCC[Si](C)(C)C)c23)n1)C(=O)O
• InChI: InChI=1S/C30H38N4O5Si/c1-30(2,29(35)36)38-19-23-17-27(21-8-6-10-25(16-21)39-24-12-13-24)34(32-23)26-11-7-9-22-18-31-33(28(22)26)20-37-14-15-40(3,4)5/h6-11,16-18,24H,12-15,19-20H2,1-5H3,(H,35,36)
• InChIKey: YDLBMGQKBAPGDY-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 100.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.74
LogP ≤ 5	6.12
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-[[5-(3-cyclopropyloxyphenyl)-1-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid?

The IUPAC name of 2-[[5-(3-cyclopropyloxyphenyl)-1-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid (CID 140877315) is 2-[[5-(3-cyclopropyloxyphenyl)-1-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid.

What is the SMILES notation for 2-[[5-(3-cyclopropyloxyphenyl)-1-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid?

The canonical SMILES for 2-[[5-(3-cyclopropyloxyphenyl)-1-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid is CC(C)(OCc1cc(-c2cccc(OC3CC3)c2)n(-c2cccc3cnn(COCC[Si](C)(C)C)c23)n1)C(=O)O.

What is the InChIKey of 2-[[5-(3-cyclopropyloxyphenyl)-1-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid?

The InChIKey is YDLBMGQKBAPGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O5Si/c1-30(2,29(35)36)38-19-23-17-27(21-8-6-10-25(16-21)39-24-12-13-24)34(32-23)26-11-7-9-22-18-31-33(28(22)26)20-37-14-15-40(3,4)5/h6-11,16-18,24H,12-15,19-20H2,1-5H3,(H,35,36).

What are the key properties of 2-[[5-(3-cyclopropyloxyphenyl)-1-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid?

2-[[5-(3-cyclopropyloxyphenyl)-1-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid has a molecular weight of 562.74 g/mol, XLogP of 6.12, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(3-cyclopropyloxyphenyl)-1-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazol-3-yl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 140877315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).