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

C32H38N6O2Si — CID 171599370

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

3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-propan-2-yloxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (PubChem CID 171599370) has the molecular formula C32H38N6O2Si and a molecular weight of 566.78 g/mol. Its IUPAC name is 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-propan-2-yloxy-2-pyridinyl)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-propan-2-yloxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• PubChem CID: 171599370
• Molecular Formula: C32H38N6O2Si
• Molecular Weight: 566.78 g/mol
• Exact Mass: 566.28
• IUPAC Name: 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-propan-2-yloxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine
• SMILES: CC(C)Oc1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CO[Si](C)(C)C(C)(C)C)cc4)c3n2)nc1
• InChI: InChI=1S/C32H38N6O2Si/c1-21(2)40-24-14-15-26(35-19-24)27-16-17-28-31(36-27)38(30(37-28)25-9-8-18-34-29(25)33)23-12-10-22(11-13-23)20-39-41(6,7)32(3,4)5/h8-19,21H,20H2,1-7H3,(H2,33,34)
• InChIKey: KICLAFUAGWDSNG-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 100.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.78
LogP ≤ 5	7.44
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-propan-2-yloxy-2-pyridinyl)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-propan-2-yloxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (CID 171599370) is 3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-propan-2-yloxy-2-pyridinyl)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-propan-2-yloxy-2-pyridinyl)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-propan-2-yloxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is CC(C)Oc1ccc(-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-propan-2-yloxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine?

The InChIKey is KICLAFUAGWDSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N6O2Si/c1-21(2)40-24-14-15-26(35-19-24)27-16-17-28-31(36-27)38(30(37-28)25-9-8-18-34-29(25)33)23-12-10-22(11-13-23)20-39-41(6,7)32(3,4)5/h8-19,21H,20H2,1-7H3,(H2,33,34).

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

3-[3-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-5-(5-propan-2-yloxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine has a molecular weight of 566.78 g/mol, XLogP of 7.44, 8 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-propan-2-yloxy-2-pyridinyl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine is sourced from PubChem (CID 171599370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).