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

C30H33FN6O2Si — CID 174235823

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

5-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1-(fluoromethyl)pyridin-2-one (PubChem CID 174235823) has the molecular formula C30H33FN6O2Si and a molecular weight of 556.72 g/mol. Its IUPAC name is 5-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1-(fluoromethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 5-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1-(fluoromethyl)pyridin-2-one
• PubChem CID: 174235823
• Molecular Formula: C30H33FN6O2Si
• Molecular Weight: 556.72 g/mol
• Exact Mass: 556.24
• IUPAC Name: 5-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1-(fluoromethyl)pyridin-2-one
• SMILES: CC(C)(C)[Si](C)(C)OCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccc(=O)n(CF)c4)nc32)cc1
• InChI: InChI=1S/C30H33FN6O2Si/c1-30(2,3)40(4,5)39-18-20-8-11-22(12-9-20)37-28(23-7-6-16-33-27(23)32)35-25-14-13-24(34-29(25)37)21-10-15-26(38)36(17-21)19-31/h6-17H,18-19H2,1-5H3,(H2,32,33)
• InChIKey: DPCXOHIWSLNABE-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 100.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.72
LogP ≤ 5	6.34
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 5-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1-(fluoromethyl)pyridin-2-one?

The IUPAC name of 5-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1-(fluoromethyl)pyridin-2-one (CID 174235823) is 5-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1-(fluoromethyl)pyridin-2-one.

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

The canonical SMILES for 5-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1-(fluoromethyl)pyridin-2-one is CC(C)(C)[Si](C)(C)OCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccc(=O)n(CF)c4)nc32)cc1.

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

The InChIKey is DPCXOHIWSLNABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33FN6O2Si/c1-30(2,3)40(4,5)39-18-20-8-11-22(12-9-20)37-28(23-7-6-16-33-27(23)32)35-25-14-13-24(34-29(25)37)21-10-15-26(38)36(17-21)19-31/h6-17H,18-19H2,1-5H3,(H2,32,33).

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

5-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1-(fluoromethyl)pyridin-2-one has a molecular weight of 556.72 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-amino-3-pyridinyl)-3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-5-yl]-1-(fluoromethyl)pyridin-2-one is sourced from PubChem (CID 174235823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).