[6-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid

C24H33ClN4O5Si — CID 87633567

About [6-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid

[6-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid (PubChem CID 87633567) has the molecular formula C24H33ClN4O5Si and a molecular weight of 521.09 g/mol. Its IUPAC name is [6-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid.

Molecular Properties

• Compound Name: [6-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid
• PubChem CID: 87633567
• Molecular Formula: C24H33ClN4O5Si
• Molecular Weight: 521.09 g/mol
• Exact Mass: 520.19
• IUPAC Name: [6-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid
• SMILES: CCOc1ccc(N(C(=O)O)c2c(CC(O)CO[Si](C)(C)C(C)(C)C)c(Cl)nc3ccnn23)cc1
• InChI: InChI=1S/C24H33ClN4O5Si/c1-7-33-18-10-8-16(9-11-18)28(23(31)32)22-19(21(25)27-20-12-13-26-29(20)22)14-17(30)15-34-35(5,6)24(2,3)4/h8-13,17,30H,7,14-15H2,1-6H3,(H,31,32)
• InChIKey: OLJGZJYGFQCQPO-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 109.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.09
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid?

The IUPAC name of [6-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid (CID 87633567) is [6-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid.

What is the SMILES notation for [6-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid?

The canonical SMILES for [6-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid is CCOc1ccc(N(C(=O)O)c2c(CC(O)CO[Si](C)(C)C(C)(C)C)c(Cl)nc3ccnn23)cc1.

What is the InChIKey of [6-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid?

The InChIKey is OLJGZJYGFQCQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O5Si/c1-7-33-18-10-8-16(9-11-18)28(23(31)32)22-19(21(25)27-20-12-13-26-29(20)22)14-17(30)15-34-35(5,6)24(2,3)4/h8-13,17,30H,7,14-15H2,1-6H3,(H,31,32).

What are the key properties of [6-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid?

[6-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid has a molecular weight of 521.09 g/mol, XLogP of 5.52, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl]-5-chloropyrazolo[1,5-a]pyrimidin-7-yl]-(4-ethoxyphenyl)carbamic acid is sourced from PubChem (CID 87633567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).