N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetamide

C24H38N6O3Si — CID 169113952

About N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetamide

N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetamide (PubChem CID 169113952) has the molecular formula C24H38N6O3Si and a molecular weight of 486.69 g/mol. Its IUPAC name is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetamide.

Molecular Properties

• Compound Name: N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetamide
• PubChem CID: 169113952
• Molecular Formula: C24H38N6O3Si
• Molecular Weight: 486.69 g/mol
• Exact Mass: 486.28
• IUPAC Name: N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetamide
• SMILES: C[Si](C)(C)CCOCn1ncc2c(N)ncc(NC(=O)C(=O)N3CCCCC3C3CCCC3)c21
• InChI: InChI=1S/C24H38N6O3Si/c1-34(2,3)13-12-33-16-30-21-18(14-27-30)22(25)26-15-19(21)28-23(31)24(32)29-11-7-6-10-20(29)17-8-4-5-9-17/h14-15,17,20H,4-13,16H2,1-3H3,(H2,25,26)(H,28,31)
• InChIKey: BNEDOYINJTYQJH-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 115.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.69
LogP ≤ 5	3.84
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': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetamide?

The IUPAC name of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetamide (CID 169113952) is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetamide.

What is the SMILES notation for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetamide?

The canonical SMILES for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetamide is C[Si](C)(C)CCOCn1ncc2c(N)ncc(NC(=O)C(=O)N3CCCCC3C3CCCC3)c21.

What is the InChIKey of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetamide?

The InChIKey is BNEDOYINJTYQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O3Si/c1-34(2,3)13-12-33-16-30-21-18(14-27-30)22(25)26-15-19(21)28-23(31)24(32)29-11-7-6-10-20(29)17-8-4-5-9-17/h14-15,17,20H,4-13,16H2,1-3H3,(H2,25,26)(H,28,31).

What are the key properties of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetamide?

N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetamide has a molecular weight of 486.69 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-(2-cyclopentylpiperidin-1-yl)-2-oxoacetamide is sourced from PubChem (CID 169113952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).