3-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one

C27H32N6O3Si — CID 171494769

About 3-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one

3-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one (PubChem CID 171494769) has the molecular formula C27H32N6O3Si and a molecular weight of 516.68 g/mol. Its IUPAC name is 3-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one
• PubChem CID: 171494769
• Molecular Formula: C27H32N6O3Si
• Molecular Weight: 516.68 g/mol
• Exact Mass: 516.23
• IUPAC Name: 3-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one
• SMILES: CC(C)(C)[Si](C)(C)OCc1ccc(-n2c(-c3cccnc3N)nc3ccc(N4CCOC4=O)nc32)cc1
• InChI: InChI=1S/C27H32N6O3Si/c1-27(2,3)37(4,5)36-17-18-8-10-19(11-9-18)33-24(20-7-6-14-29-23(20)28)30-21-12-13-22(31-25(21)33)32-15-16-35-26(32)34/h6-14H,15-17H2,1-5H3,(H2,28,29)
• InChIKey: XFOKZVQEPSQZIE-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 108.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.68
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one (CID 171494769) is 3-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one is CC(C)(C)[Si](C)(C)OCc1ccc(-n2c(-c3cccnc3N)nc3ccc(N4CCOC4=O)nc32)cc1.

What is the InChIKey of 3-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one?

The InChIKey is XFOKZVQEPSQZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O3Si/c1-27(2,3)37(4,5)36-17-18-8-10-19(11-9-18)33-24(20-7-6-14-29-23(20)28)30-21-12-13-22(31-25(21)33)32-15-16-35-26(32)34/h6-14H,15-17H2,1-5H3,(H2,28,29).

What are the key properties of 3-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one?

3-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 516.68 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 171494769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).