4-[4-[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-a]pyridin-7-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid

C29H38FN7O4Si — CID 175493672

About 4-[4-[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-a]pyridin-7-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid

4-[4-[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-a]pyridin-7-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid (PubChem CID 175493672) has the molecular formula C29H38FN7O4Si and a molecular weight of 595.75 g/mol. Its IUPAC name is 4-[4-[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-a]pyridin-7-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[4-[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-a]pyridin-7-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid
• PubChem CID: 175493672
• Molecular Formula: C29H38FN7O4Si
• Molecular Weight: 595.75 g/mol
• Exact Mass: 595.27
• IUPAC Name: 4-[4-[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-a]pyridin-7-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid
• SMILES: Cc1c(-c2cc(OC(CO[Si](C)(C)C(C)(C)C)c3ccc(F)cn3)n3ccnc3c2)nnn1C1CCN(C(=O)O)CC1
• InChI: InChI=1S/C29H38FN7O4Si/c1-19-27(33-34-37(19)22-9-12-35(13-10-22)28(38)39)20-15-25-31-11-14-36(25)26(16-20)41-24(23-8-7-21(30)17-32-23)18-40-42(5,6)29(2,3)4/h7-8,11,14-17,22,24H,9-10,12-13,18H2,1-6H3,(H,38,39)
• InChIKey: URQFZEOXJJVLBI-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 119.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.75
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-a]pyridin-7-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid?

The IUPAC name of 4-[4-[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-a]pyridin-7-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid (CID 175493672) is 4-[4-[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-a]pyridin-7-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid.

What is the SMILES notation for 4-[4-[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-a]pyridin-7-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid?

The canonical SMILES for 4-[4-[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-a]pyridin-7-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid is Cc1c(-c2cc(OC(CO[Si](C)(C)C(C)(C)C)c3ccc(F)cn3)n3ccnc3c2)nnn1C1CCN(C(=O)O)CC1.

What is the InChIKey of 4-[4-[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-a]pyridin-7-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid?

The InChIKey is URQFZEOXJJVLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38FN7O4Si/c1-19-27(33-34-37(19)22-9-12-35(13-10-22)28(38)39)20-15-25-31-11-14-36(25)26(16-20)41-24(23-8-7-21(30)17-32-23)18-40-42(5,6)29(2,3)4/h7-8,11,14-17,22,24H,9-10,12-13,18H2,1-6H3,(H,38,39).

What are the key properties of 4-[4-[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-a]pyridin-7-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid?

4-[4-[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-a]pyridin-7-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid has a molecular weight of 595.75 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[5-[2-[tert-butyl(dimethyl)silyl]oxy-1-(5-fluoro-2-pyridinyl)ethoxy]imidazo[1,2-a]pyridin-7-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175493672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).