N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,3R)-3-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide

C26H36N6O3Si — CID 174094379

About N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,3R)-3-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide

N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,3R)-3-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 174094379) has the molecular formula C26H36N6O3Si and a molecular weight of 508.70 g/mol. Its IUPAC name is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,3R)-3-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

• Compound Name: N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,3R)-3-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
• PubChem CID: 174094379
• Molecular Formula: C26H36N6O3Si
• Molecular Weight: 508.70 g/mol
• Exact Mass: 508.26
• IUPAC Name: N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,3R)-3-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
• SMILES: C[C@@H]1CCCN(C(=O)C(=O)Nc2cnc(N)c3cnn(COCC[Si](C)(C)C)c23)[C@H]1c1ccccc1
• InChI: InChI=1S/C26H36N6O3Si/c1-18-9-8-12-31(22(18)19-10-6-5-7-11-19)26(34)25(33)30-21-16-28-24(27)20-15-29-32(23(20)21)17-35-13-14-36(2,3)4/h5-7,10-11,15-16,18,22H,8-9,12-14,17H2,1-4H3,(H2,27,28)(H,30,33)/t18-,22-/m1/s1
• InChIKey: UOTCFJFQGRQUMZ-XMSQKQJNSA-N
• XLogP: 4.26
• TPSA: 115.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.70
LogP ≤ 5	4.26
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-[(2R,3R)-3-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide?

The IUPAC name of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,3R)-3-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide (CID 174094379) is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,3R)-3-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide.

What is the SMILES notation for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,3R)-3-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide?

The canonical SMILES for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,3R)-3-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide is C[C@@H]1CCCN(C(=O)C(=O)Nc2cnc(N)c3cnn(COCC[Si](C)(C)C)c23)[C@H]1c1ccccc1.

What is the InChIKey of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,3R)-3-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide?

The InChIKey is UOTCFJFQGRQUMZ-XMSQKQJNSA-N. The full InChI is InChI=1S/C26H36N6O3Si/c1-18-9-8-12-31(22(18)19-10-6-5-7-11-19)26(34)25(33)30-21-16-28-24(27)20-15-29-32(23(20)21)17-35-13-14-36(2,3)4/h5-7,10-11,15-16,18,22H,8-9,12-14,17H2,1-4H3,(H2,27,28)(H,30,33)/t18-,22-/m1/s1.

What are the key properties of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,3R)-3-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide?

N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-2-[(2R,3R)-3-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 508.70 g/mol, XLogP of 4.26, 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-[(2R,3R)-3-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 174094379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).