benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-oxopropyl]piperidine-1-carboxylate

C34H41FN4O4Si — CID 140843316

About benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-oxopropyl]piperidine-1-carboxylate

benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-oxopropyl]piperidine-1-carboxylate (PubChem CID 140843316) has the molecular formula C34H41FN4O4Si and a molecular weight of 616.81 g/mol. Its IUPAC name is benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-oxopropyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-oxopropyl]piperidine-1-carboxylate
• PubChem CID: 140843316
• Molecular Formula: C34H41FN4O4Si
• Molecular Weight: 616.81 g/mol
• Exact Mass: 616.29
• IUPAC Name: benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-oxopropyl]piperidine-1-carboxylate
• SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)OCc2ccccc2)[C@@H]1CC(=O)Cn1cnc2ccc(-c3ccccc3F)nc21
• InChI: InChI=1S/C34H41FN4O4Si/c1-34(2,3)44(4,5)43-31-16-11-19-39(33(41)42-22-24-12-7-6-8-13-24)30(31)20-25(40)21-38-23-36-29-18-17-28(37-32(29)38)26-14-9-10-15-27(26)35/h6-10,12-15,17-18,23,30-31H,11,16,19-22H2,1-5H3/t30-,31+/m1/s1
• InChIKey: MRYMOESZRSTBNC-JSOSNVBQSA-N
• XLogP: 7.39
• TPSA: 86.55 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.81
LogP ≤ 5	7.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-oxopropyl]piperidine-1-carboxylate?

The IUPAC name of benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-oxopropyl]piperidine-1-carboxylate (CID 140843316) is benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-oxopropyl]piperidine-1-carboxylate.

What is the SMILES notation for benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-oxopropyl]piperidine-1-carboxylate?

The canonical SMILES for benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-oxopropyl]piperidine-1-carboxylate is CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)OCc2ccccc2)[C@@H]1CC(=O)Cn1cnc2ccc(-c3ccccc3F)nc21.

What is the InChIKey of benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-oxopropyl]piperidine-1-carboxylate?

The InChIKey is MRYMOESZRSTBNC-JSOSNVBQSA-N. The full InChI is InChI=1S/C34H41FN4O4Si/c1-34(2,3)44(4,5)43-31-16-11-19-39(33(41)42-22-24-12-7-6-8-13-24)30(31)20-25(40)21-38-23-36-29-18-17-28(37-32(29)38)26-14-9-10-15-27(26)35/h6-10,12-15,17-18,23,30-31H,11,16,19-22H2,1-5H3/t30-,31+/m1/s1.

What are the key properties of benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-oxopropyl]piperidine-1-carboxylate?

benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-oxopropyl]piperidine-1-carboxylate has a molecular weight of 616.81 g/mol, XLogP of 7.39, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[5-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-2-oxopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 140843316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).