3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

C29H35N7OSi — CID 171599236

About 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine

3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171599236) has the molecular formula C29H35N7OSi and a molecular weight of 525.73 g/mol. Its IUPAC name is 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(1,3-dimethylpyrazol-4-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-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 171599236
• Molecular Formula: C29H35N7OSi
• Molecular Weight: 525.73 g/mol
• Exact Mass: 525.27
• IUPAC Name: 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: Cc1nn(C)cc1-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)c2n1
• InChI: InChI=1S/C29H35N7OSi/c1-19-23(17-35(5)34-19)24-14-15-25-28(32-24)36(27(33-25)22-9-8-16-31-26(22)30)21-12-10-20(11-13-21)18-37-38(6,7)29(2,3)4/h8-17H,18H2,1-7H3,(H2,30,31)
• InChIKey: ITLMKBJVXVMYAD-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 96.67 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	525.73
LogP ≤ 5	6.30
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-(1,3-dimethylpyrazol-4-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-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171599236) is 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(1,3-dimethylpyrazol-4-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-(1,3-dimethylpyrazol-4-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-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is Cc1nn(C)cc1-c1ccc2nc(-c3cccnc3N)n(-c3ccc(CO[Si](C)(C)C(C)(C)C)cc3)c2n1.

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

The InChIKey is ITLMKBJVXVMYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7OSi/c1-19-23(17-35(5)34-19)24-14-15-25-28(32-24)36(27(33-25)22-9-8-16-31-26(22)30)21-12-10-20(11-13-21)18-37-38(6,7)29(2,3)4/h8-17H,18H2,1-7H3,(H2,30,31).

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

3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 525.73 g/mol, XLogP of 6.30, 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-(1,3-dimethylpyrazol-4-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171599236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).