[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanol

C31H41N3O2Si — CID 69433860

About [3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanol

[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanol (PubChem CID 69433860) has the molecular formula C31H41N3O2Si and a molecular weight of 515.77 g/mol. Its IUPAC name is [3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanol.

Molecular Properties

• Compound Name: [3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanol
• PubChem CID: 69433860
• Molecular Formula: C31H41N3O2Si
• Molecular Weight: 515.77 g/mol
• Exact Mass: 515.30
• IUPAC Name: [3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanol
• SMILES: CCc1nc2c(C)cc(C)nc2n1Cc1cccc(C(O)c2cccc(CO[Si](C)(C)C(C)(C)C)c2)c1
• InChI: InChI=1S/C31H41N3O2Si/c1-9-27-33-28-21(2)16-22(3)32-30(28)34(27)19-23-12-10-14-25(17-23)29(35)26-15-11-13-24(18-26)20-36-37(7,8)31(4,5)6/h10-18,29,35H,9,19-20H2,1-8H3
• InChIKey: YJMKUVQGCIWDFE-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 60.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.77
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanol?

The IUPAC name of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanol (CID 69433860) is [3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanol.

What is the SMILES notation for [3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanol?

The canonical SMILES for [3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanol is CCc1nc2c(C)cc(C)nc2n1Cc1cccc(C(O)c2cccc(CO[Si](C)(C)C(C)(C)C)c2)c1.

What is the InChIKey of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanol?

The InChIKey is YJMKUVQGCIWDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N3O2Si/c1-9-27-33-28-21(2)16-22(3)32-30(28)34(27)19-23-12-10-14-25(17-23)29(35)26-15-11-13-24(18-26)20-36-37(7,8)31(4,5)6/h10-18,29,35H,9,19-20H2,1-8H3.

What are the key properties of [3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanol?

[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanol has a molecular weight of 515.77 g/mol, XLogP of 7.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-[3-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]methanol is sourced from PubChem (CID 69433860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).