[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]methanol

C28H33ClFN5O3SSi — CID 131746756

About [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]methanol

[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]methanol (PubChem CID 131746756) has the molecular formula C28H33ClFN5O3SSi and a molecular weight of 602.21 g/mol. Its IUPAC name is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]methanol.

Molecular Properties

• Compound Name: [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]methanol
• PubChem CID: 131746756
• Molecular Formula: C28H33ClFN5O3SSi
• Molecular Weight: 602.21 g/mol
• Exact Mass: 601.17
• IUPAC Name: [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]methanol
• SMILES: CC(C)(C)[Si](C)(C)OCc1csc(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)ncc34)c(F)cc2Cl)n1
• InChI: InChI=1S/C28H33ClFN5O3SSi/c1-28(2,3)40(4,5)38-14-17-15-39-27(34-17)26(36)18-10-19(22(30)11-21(18)29)25-20-13-31-24(12-23(20)32-16-33-25)35-6-8-37-9-7-35/h10-13,15-16,26,36H,6-9,14H2,1-5H3
• InChIKey: YLVKXNJMFKTZOC-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 93.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.21
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]methanol?

The IUPAC name of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]methanol (CID 131746756) is [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]methanol.

What is the SMILES notation for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]methanol?

The canonical SMILES for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]methanol is CC(C)(C)[Si](C)(C)OCc1csc(C(O)c2cc(-c3ncnc4cc(N5CCOCC5)ncc34)c(F)cc2Cl)n1.

What is the InChIKey of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]methanol?

The InChIKey is YLVKXNJMFKTZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClFN5O3SSi/c1-28(2,3)40(4,5)38-14-17-15-39-27(34-17)26(36)18-10-19(22(30)11-21(18)29)25-20-13-31-24(12-23(20)32-16-33-25)35-6-8-37-9-7-35/h10-13,15-16,26,36H,6-9,14H2,1-5H3.

What are the key properties of [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]methanol?

[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]methanol has a molecular weight of 602.21 g/mol, XLogP of 6.38, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3-thiazol-2-yl]-[2-chloro-4-fluoro-5-(7-morpholin-4-ylpyrido[4,3-d]pyrimidin-4-yl)phenyl]methanol is sourced from PubChem (CID 131746756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).