[2-[3,5-difluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyanilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol

C28H34F2N6O5Si — CID 142518348

About [2-[3,5-difluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyanilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol

[2-[3,5-difluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyanilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol (PubChem CID 142518348) has the molecular formula C28H34F2N6O5Si and a molecular weight of 600.70 g/mol. Its IUPAC name is [2-[3,5-difluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyanilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol.

Molecular Properties

• Compound Name: [2-[3,5-difluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyanilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol
• PubChem CID: 142518348
• Molecular Formula: C28H34F2N6O5Si
• Molecular Weight: 600.70 g/mol
• Exact Mass: 600.23
• IUPAC Name: [2-[3,5-difluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyanilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol
• SMILES: Cc1nnc(-c2cn(COCC[Si](C)(C)C)c3nccc(Oc4c(F)cc(NC5=NCC(C)(CO)CO5)cc4F)c23)o1
• InChI: InChI=1S/C28H34F2N6O5Si/c1-17-34-35-26(40-17)19-12-36(16-38-8-9-42(3,4)5)25-23(19)22(6-7-31-25)41-24-20(29)10-18(11-21(24)30)33-27-32-13-28(2,14-37)15-39-27/h6-7,10-12,37H,8-9,13-16H2,1-5H3,(H,32,33)
• InChIKey: DPMZZJILNICPAJ-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 129.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	600.70
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[3,5-difluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyanilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol?

The IUPAC name of [2-[3,5-difluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyanilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol (CID 142518348) is [2-[3,5-difluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyanilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol.

What is the SMILES notation for [2-[3,5-difluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyanilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol?

The canonical SMILES for [2-[3,5-difluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyanilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol is Cc1nnc(-c2cn(COCC[Si](C)(C)C)c3nccc(Oc4c(F)cc(NC5=NCC(C)(CO)CO5)cc4F)c23)o1.

What is the InChIKey of [2-[3,5-difluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyanilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol?

The InChIKey is DPMZZJILNICPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F2N6O5Si/c1-17-34-35-26(40-17)19-12-36(16-38-8-9-42(3,4)5)25-23(19)22(6-7-31-25)41-24-20(29)10-18(11-21(24)30)33-27-32-13-28(2,14-37)15-39-27/h6-7,10-12,37H,8-9,13-16H2,1-5H3,(H,32,33).

What are the key properties of [2-[3,5-difluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyanilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol?

[2-[3,5-difluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyanilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol has a molecular weight of 600.70 g/mol, XLogP of 5.57, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3,5-difluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxyanilino]-5-methyl-4,6-dihydro-1,3-oxazin-5-yl]methanol is sourced from PubChem (CID 142518348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).