6-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyridine-2-carboxamide

C26H33N5O4Si — CID 174146806

About 6-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyridine-2-carboxamide

6-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyridine-2-carboxamide (PubChem CID 174146806) has the molecular formula C26H33N5O4Si and a molecular weight of 507.67 g/mol. Its IUPAC name is 6-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyridine-2-carboxamide
• PubChem CID: 174146806
• Molecular Formula: C26H33N5O4Si
• Molecular Weight: 507.67 g/mol
• Exact Mass: 507.23
• IUPAC Name: 6-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyridine-2-carboxamide
• SMILES: CN1CCC(O)(c2cc(-c3cccc(-c4cccc(C(N)=O)n4)c3)nn2COCC[Si](C)(C)C)C1=O
• InChI: InChI=1S/C26H33N5O4Si/c1-30-12-11-26(34,25(30)33)23-16-22(29-31(23)17-35-13-14-36(2,3)4)19-8-5-7-18(15-19)20-9-6-10-21(28-20)24(27)32/h5-10,15-16,34H,11-14,17H2,1-4H3,(H2,27,32)
• InChIKey: YMZDQYHEMSPWKZ-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 123.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.67
LogP ≤ 5	3.07
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': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyridine-2-carboxamide?

The IUPAC name of 6-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyridine-2-carboxamide (CID 174146806) is 6-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 6-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyridine-2-carboxamide?

The canonical SMILES for 6-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyridine-2-carboxamide is CN1CCC(O)(c2cc(-c3cccc(-c4cccc(C(N)=O)n4)c3)nn2COCC[Si](C)(C)C)C1=O.

What is the InChIKey of 6-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyridine-2-carboxamide?

The InChIKey is YMZDQYHEMSPWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4Si/c1-30-12-11-26(34,25(30)33)23-16-22(29-31(23)17-35-13-14-36(2,3)4)19-8-5-7-18(15-19)20-9-6-10-21(28-20)24(27)32/h5-10,15-16,34H,11-14,17H2,1-4H3,(H2,27,32).

What are the key properties of 6-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyridine-2-carboxamide?

6-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 507.67 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 174146806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).