4,6-difluoro-1-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile

C26H26F2N4O3Si — CID 168727877

IUPAC4,6-difluoro-1-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
SMILESC[Si](C)(C)CCOCn1nc(-c2cnco2)c2cc(OC3CCc4c3cc(F)c(C#N)c4F)ccc21
InChIInChI=1S/C26H26F2N4O3Si/c1-36(2,3)9-8-33-15-32-22-6-4-16(10-19(22)26(31-32)24-13-30-14-34-24)35-23-7-5-17-18(23)11-21(27)20(12-29)25(17)28/h4,6,10-11,13-14,23H,5,7-9,15H2,1-3H3
InChIKeyCYSIVHOHVCEREX-UHFFFAOYSA-N
MW508.60 g/mol
LogP6.22
Rot. Bonds8

About 4,6-difluoro-1-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile

4,6-difluoro-1-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 168727877) has the molecular formula C26H26F2N4O3Si and a molecular weight of 508.60 g/mol. Its IUPAC name is 4,6-difluoro-1-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name4,6-difluoro-1-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID168727877
Molecular FormulaC26H26F2N4O3Si
Molecular Weight508.60 g/mol
Exact Mass508.17
IUPAC Name4,6-difluoro-1-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
SMILESC[Si](C)(C)CCOCn1nc(-c2cnco2)c2cc(OC3CCc4c3cc(F)c(C#N)c4F)ccc21
InChIInChI=1S/C26H26F2N4O3Si/c1-36(2,3)9-8-33-15-32-22-6-4-16(10-19(22)26(31-32)24-13-30-14-34-24)35-23-7-5-17-18(23)11-21(27)20(12-29)25(17)28/h4,6,10-11,13-14,23H,5,7-9,15H2,1-3H3
InChIKeyCYSIVHOHVCEREX-UHFFFAOYSA-N
XLogP6.22
TPSA86.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.60
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 4,6-difluoro-1-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile (CID 168727877) is 4,6-difluoro-1-[3-(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 4,6-difluoro-1-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 4,6-difluoro-1-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile is C[Si](C)(C)CCOCn1nc(-c2cnco2)c2cc(OC3CCc4c3cc(F)c(C#N)c4F)ccc21.
What is the InChIKey of 4,6-difluoro-1-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is CYSIVHOHVCEREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O3Si/c1-36(2,3)9-8-33-15-32-22-6-4-16(10-19(22)26(31-32)24-13-30-14-34-24)35-23-7-5-17-18(23)11-21(27)20(12-29)25(17)28/h4,6,10-11,13-14,23H,5,7-9,15H2,1-3H3.
What are the key properties of 4,6-difluoro-1-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile?
4,6-difluoro-1-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 508.60 g/mol, XLogP of 6.22, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 168727877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).