3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C24H29N5OSi — CID 171601152

About 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171601152) has the molecular formula C24H29N5OSi and a molecular weight of 431.62 g/mol. Its IUPAC name is 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 171601152
• Molecular Formula: C24H29N5OSi
• Molecular Weight: 431.62 g/mol
• Exact Mass: 431.21
• IUPAC Name: 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: CC(C)(C)[Si](C)(C)OCc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1
• InChI: InChI=1S/C24H29N5OSi/c1-24(2,3)31(4,5)30-16-17-10-12-18(13-11-17)29-22(19-8-6-14-26-21(19)25)28-20-9-7-15-27-23(20)29/h6-15H,16H2,1-5H3,(H2,25,26)
• InChIKey: DOASNJYHLHGHSI-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 78.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.62
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171601152) is 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

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

The canonical SMILES for 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is CC(C)(C)[Si](C)(C)OCc1ccc(-n2c(-c3cccnc3N)nc3cccnc32)cc1.

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

The InChIKey is DOASNJYHLHGHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OSi/c1-24(2,3)31(4,5)30-16-17-10-12-18(13-11-17)29-22(19-8-6-14-26-21(19)25)28-20-9-7-15-27-23(20)29/h6-15H,16H2,1-5H3,(H2,25,26).

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

3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 431.62 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171601152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).