(5R)-N-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-5-(methoxymethyl)-5-methyl-4,6-dihydro-1,3-oxazin-2-amine

C26H33ClF2N4O4Si — CID 175773091

About (5R)-N-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-5-(methoxymethyl)-5-methyl-4,6-dihydro-1,3-oxazin-2-amine

(5R)-N-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-5-(methoxymethyl)-5-methyl-4,6-dihydro-1,3-oxazin-2-amine (PubChem CID 175773091) has the molecular formula C26H33ClF2N4O4Si and a molecular weight of 567.11 g/mol. Its IUPAC name is (5R)-N-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-5-(methoxymethyl)-5-methyl-4,6-dihydro-1,3-oxazin-2-amine.

Molecular Properties

• Compound Name: (5R)-N-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-5-(methoxymethyl)-5-methyl-4,6-dihydro-1,3-oxazin-2-amine
• PubChem CID: 175773091
• Molecular Formula: C26H33ClF2N4O4Si
• Molecular Weight: 567.11 g/mol
• Exact Mass: 566.19
• IUPAC Name: (5R)-N-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-5-(methoxymethyl)-5-methyl-4,6-dihydro-1,3-oxazin-2-amine
• SMILES: COC[C@@]1(C)CN=C(Nc2cc(F)c(Oc3ccnc4c3c(Cl)cn4COCC[Si](C)(C)C)c(F)c2)OC1
• InChI: InChI=1S/C26H33ClF2N4O4Si/c1-26(14-34-2)13-31-25(36-15-26)32-17-10-19(28)23(20(29)11-17)37-21-6-7-30-24-22(21)18(27)12-33(24)16-35-8-9-38(3,4)5/h6-7,10-12H,8-9,13-16H2,1-5H3,(H,31,32)/t26-/m1/s1
• InChIKey: YNSQSFHNGIPLGD-AREMUKBSSA-N
• XLogP: 6.52
• TPSA: 79.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.11
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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 (5R)-N-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-5-(methoxymethyl)-5-methyl-4,6-dihydro-1,3-oxazin-2-amine?

The IUPAC name of (5R)-N-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-5-(methoxymethyl)-5-methyl-4,6-dihydro-1,3-oxazin-2-amine (CID 175773091) is (5R)-N-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-5-(methoxymethyl)-5-methyl-4,6-dihydro-1,3-oxazin-2-amine.

What is the SMILES notation for (5R)-N-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-5-(methoxymethyl)-5-methyl-4,6-dihydro-1,3-oxazin-2-amine?

The canonical SMILES for (5R)-N-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-5-(methoxymethyl)-5-methyl-4,6-dihydro-1,3-oxazin-2-amine is COC[C@@]1(C)CN=C(Nc2cc(F)c(Oc3ccnc4c3c(Cl)cn4COCC[Si](C)(C)C)c(F)c2)OC1.

What is the InChIKey of (5R)-N-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-5-(methoxymethyl)-5-methyl-4,6-dihydro-1,3-oxazin-2-amine?

The InChIKey is YNSQSFHNGIPLGD-AREMUKBSSA-N. The full InChI is InChI=1S/C26H33ClF2N4O4Si/c1-26(14-34-2)13-31-25(36-15-26)32-17-10-19(28)23(20(29)11-17)37-21-6-7-30-24-22(21)18(27)12-33(24)16-35-8-9-38(3,4)5/h6-7,10-12H,8-9,13-16H2,1-5H3,(H,31,32)/t26-/m1/s1.

What are the key properties of (5R)-N-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-5-(methoxymethyl)-5-methyl-4,6-dihydro-1,3-oxazin-2-amine?

(5R)-N-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-5-(methoxymethyl)-5-methyl-4,6-dihydro-1,3-oxazin-2-amine has a molecular weight of 567.11 g/mol, XLogP of 6.52, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-N-[4-[3-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluorophenyl]-5-(methoxymethyl)-5-methyl-4,6-dihydro-1,3-oxazin-2-amine is sourced from PubChem (CID 175773091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).