[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]-(1,3-thiazol-5-yl)methanol

C32H37ClFN3O3SSi — CID 77272587

About [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]-(1,3-thiazol-5-yl)methanol

[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]-(1,3-thiazol-5-yl)methanol (PubChem CID 77272587) has the molecular formula C32H37ClFN3O3SSi and a molecular weight of 626.27 g/mol. Its IUPAC name is [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]-(1,3-thiazol-5-yl)methanol.

Molecular Properties

• Compound Name: [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]-(1,3-thiazol-5-yl)methanol
• PubChem CID: 77272587
• Molecular Formula: C32H37ClFN3O3SSi
• Molecular Weight: 626.27 g/mol
• Exact Mass: 625.20
• IUPAC Name: [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]-(1,3-thiazol-5-yl)methanol
• SMILES: CC1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)nc(C(O)c3cncs3)c(F)c2Cl)CC(C)O1
• InChI: InChI=1S/C32H37ClFN3O3SSi/c1-21-17-37(18-22(2)40-21)30-25(36-29(28(34)27(30)33)31(38)26-16-35-20-41-26)19-39-42(32(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-16,20-22,31,38H,17-19H2,1-5H3
• InChIKey: ZCVUKHABEXVRBE-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 67.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.27
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]-(1,3-thiazol-5-yl)methanol?

The IUPAC name of [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]-(1,3-thiazol-5-yl)methanol (CID 77272587) is [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]-(1,3-thiazol-5-yl)methanol.

What is the SMILES notation for [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]-(1,3-thiazol-5-yl)methanol?

The canonical SMILES for [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]-(1,3-thiazol-5-yl)methanol is CC1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)nc(C(O)c3cncs3)c(F)c2Cl)CC(C)O1.

What is the InChIKey of [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]-(1,3-thiazol-5-yl)methanol?

The InChIKey is ZCVUKHABEXVRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37ClFN3O3SSi/c1-21-17-37(18-22(2)40-21)30-25(36-29(28(34)27(30)33)31(38)26-16-35-20-41-26)19-39-42(32(3,4)5,23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-16,20-22,31,38H,17-19H2,1-5H3.

What are the key properties of [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]-(1,3-thiazol-5-yl)methanol?

[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]-(1,3-thiazol-5-yl)methanol has a molecular weight of 626.27 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]-(1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 77272587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).