4-fluoro-1-[3-(2-methyl-1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile

C27H29FN4O3Si — CID 168727910

About 4-fluoro-1-[3-(2-methyl-1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile

4-fluoro-1-[3-(2-methyl-1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 168727910) has the molecular formula C27H29FN4O3Si and a molecular weight of 504.64 g/mol. Its IUPAC name is 4-fluoro-1-[3-(2-methyl-1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

• Compound Name: 4-fluoro-1-[3-(2-methyl-1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
• PubChem CID: 168727910
• Molecular Formula: C27H29FN4O3Si
• Molecular Weight: 504.64 g/mol
• Exact Mass: 504.20
• IUPAC Name: 4-fluoro-1-[3-(2-methyl-1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
• SMILES: Cc1ncc(-c2nn(COCC[Si](C)(C)C)c3ccc(OC4CCc5c4ccc(C#N)c5F)cc23)o1
• InChI: InChI=1S/C27H29FN4O3Si/c1-17-30-15-25(34-17)27-22-13-19(6-9-23(22)32(31-27)16-33-11-12-36(2,3)4)35-24-10-8-21-20(24)7-5-18(14-29)26(21)28/h5-7,9,13,15,24H,8,10-12,16H2,1-4H3
• InChIKey: FQGWIKDGAJMIQN-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 86.10 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.64
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 4-fluoro-1-[3-(2-methyl-1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile?

The IUPAC name of 4-fluoro-1-[3-(2-methyl-1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile (CID 168727910) is 4-fluoro-1-[3-(2-methyl-1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile.

What is the SMILES notation for 4-fluoro-1-[3-(2-methyl-1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile?

The canonical SMILES for 4-fluoro-1-[3-(2-methyl-1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile is Cc1ncc(-c2nn(COCC[Si](C)(C)C)c3ccc(OC4CCc5c4ccc(C#N)c5F)cc23)o1.

What is the InChIKey of 4-fluoro-1-[3-(2-methyl-1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile?

The InChIKey is FQGWIKDGAJMIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O3Si/c1-17-30-15-25(34-17)27-22-13-19(6-9-23(22)32(31-27)16-33-11-12-36(2,3)4)35-24-10-8-21-20(24)7-5-18(14-29)26(21)28/h5-7,9,13,15,24H,8,10-12,16H2,1-4H3.

What are the key properties of 4-fluoro-1-[3-(2-methyl-1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile?

4-fluoro-1-[3-(2-methyl-1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 504.64 g/mol, XLogP of 6.39, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-1-[3-(2-methyl-1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 168727910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).