[2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate

C31H42N6O3Si — CID 172584987

About [2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate

[2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate (PubChem CID 172584987) has the molecular formula C31H42N6O3Si and a molecular weight of 574.80 g/mol. Its IUPAC name is [2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: [2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
• PubChem CID: 172584987
• Molecular Formula: C31H42N6O3Si
• Molecular Weight: 574.80 g/mol
• Exact Mass: 574.31
• IUPAC Name: [2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
• SMILES: Cc1ccc(C(COC(=O)N2CCN(c3cnn4cc(-c5cnn(C)c5)ccc34)CC2)O[Si](C)(C)C(C)(C)C)cc1
• InChI: InChI=1S/C31H42N6O3Si/c1-23-8-10-24(11-9-23)29(40-41(6,7)31(2,3)4)22-39-30(38)36-16-14-35(15-17-36)28-19-33-37-21-25(12-13-27(28)37)26-18-32-34(5)20-26/h8-13,18-21,29H,14-17,22H2,1-7H3
• InChIKey: TXNBKLYOVBCYNA-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 77.13 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.80
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	0
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 [2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?

The IUPAC name of [2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate (CID 172584987) is [2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate.

What is the SMILES notation for [2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?

The canonical SMILES for [2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate is Cc1ccc(C(COC(=O)N2CCN(c3cnn4cc(-c5cnn(C)c5)ccc34)CC2)O[Si](C)(C)C(C)(C)C)cc1.

What is the InChIKey of [2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?

The InChIKey is TXNBKLYOVBCYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N6O3Si/c1-23-8-10-24(11-9-23)29(40-41(6,7)31(2,3)4)22-39-30(38)36-16-14-35(15-17-36)28-19-33-37-21-25(12-13-27(28)37)26-18-32-34(5)20-26/h8-13,18-21,29H,14-17,22H2,1-7H3.

What are the key properties of [2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?

[2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate has a molecular weight of 574.80 g/mol, XLogP of 6.06, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 172584987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).