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

C29H33N7OSi — CID 171599467

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

3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-methylpyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171599467) has the molecular formula C29H33N7OSi and a molecular weight of 523.72 g/mol. Its IUPAC name is 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-methylpyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-methylpyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 171599467
• Molecular Formula: C29H33N7OSi
• Molecular Weight: 523.72 g/mol
• Exact Mass: 523.25
• IUPAC Name: 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-methylpyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: Cc1cnc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CO[Si](C)(C)C(C)(C)C)cc4)c3n2)nc1
• InChI: InChI=1S/C29H33N7OSi/c1-19-16-32-26(33-17-19)23-13-14-24-28(34-23)36(27(35-24)22-8-7-15-31-25(22)30)21-11-9-20(10-12-21)18-37-38(5,6)29(2,3)4/h7-17H,18H2,1-6H3,(H2,30,31)
• InChIKey: JNNBVFHNDIYUIN-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 104.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.72
LogP ≤ 5	6.35
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-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-methylpyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The IUPAC name of 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-methylpyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171599467) is 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-methylpyrimidin-2-yl)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]-5-(5-methylpyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The canonical SMILES for 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-methylpyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Cc1cnc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CO[Si](C)(C)C(C)(C)C)cc4)c3n2)nc1.

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

The InChIKey is JNNBVFHNDIYUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7OSi/c1-19-16-32-26(33-17-19)23-13-14-24-28(34-23)36(27(35-24)22-8-7-15-31-25(22)30)21-11-9-20(10-12-21)18-37-38(5,6)29(2,3)4/h7-17H,18H2,1-6H3,(H2,30,31).

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

3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-methylpyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 523.72 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-methylpyrimidin-2-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171599467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).