3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-dimethoxy-3-pyridinyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine

C27H36N6O3SSi — CID 25149533

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-dimethoxy-3-pyridinyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-dimethoxy-3-pyridinyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine (PubChem CID 25149533) has the molecular formula C27H36N6O3SSi and a molecular weight of 552.78 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-dimethoxy-3-pyridinyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-dimethoxy-3-pyridinyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine
• PubChem CID: 25149533
• Molecular Formula: C27H36N6O3SSi
• Molecular Weight: 552.78 g/mol
• Exact Mass: 552.23
• IUPAC Name: 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-dimethoxy-3-pyridinyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine
• SMILES: COc1ccc(Nc2nc(C)cc(-n3ccc(-c4nccs4)n3)c2CCO[Si](C)(C)C(C)(C)C)c(OC)n1
• InChI: InChI=1S/C27H36N6O3SSi/c1-18-17-22(33-14-11-21(32-33)26-28-13-16-37-26)19(12-15-36-38(7,8)27(2,3)4)24(29-18)30-20-9-10-23(34-5)31-25(20)35-6/h9-11,13-14,16-17H,12,15H2,1-8H3,(H,29,30)
• InChIKey: SYIFPMBWTVQZPO-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 96.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.78
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-dimethoxy-3-pyridinyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine?

The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-dimethoxy-3-pyridinyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine (CID 25149533) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-dimethoxy-3-pyridinyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine.

What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-dimethoxy-3-pyridinyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine?

The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-dimethoxy-3-pyridinyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine is COc1ccc(Nc2nc(C)cc(-n3ccc(-c4nccs4)n3)c2CCO[Si](C)(C)C(C)(C)C)c(OC)n1.

What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-dimethoxy-3-pyridinyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine?

The InChIKey is SYIFPMBWTVQZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O3SSi/c1-18-17-22(33-14-11-21(32-33)26-28-13-16-37-26)19(12-15-36-38(7,8)27(2,3)4)24(29-18)30-20-9-10-23(34-5)31-25(20)35-6/h9-11,13-14,16-17H,12,15H2,1-8H3,(H,29,30).

What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-dimethoxy-3-pyridinyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine?

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-dimethoxy-3-pyridinyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine has a molecular weight of 552.78 g/mol, XLogP of 6.42, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-(2,6-dimethoxy-3-pyridinyl)-6-methyl-4-[3-(1,3-thiazol-2-yl)pyrazol-1-yl]pyridin-2-amine is sourced from PubChem (CID 25149533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).