2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile

C44H48N12O2Si2 — CID 159136575

IUPAC2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile
SMILESC[Si](C)(C)CCOCn1cc2ccc(-c3ccnn3-c3cc(C#N)ccn3)cc2n1.C[Si](C)(C)CCOCn1ncc2ccc(-c3ccnn3-c3cc(C#N)ccn3)cc21
InChIInChI=1S/2C22H24N6OSi/c1-30(2,3)11-10-29-16-27-15-19-5-4-18(13-20(19)26-27)21-7-9-25-28(21)22-12-17(14-23)6-8-24-22;1-30(2,3)11-10-29-16-27-21-13-18(4-5-19(21)15-26-27)20-7-9-25-28(20)22-12-17(14-23)6-8-24-22/h2*4-9,12-13,15H,10-11,16H2,1-3H3
InChIKeyKHOIGMURTDVJKU-UHFFFAOYSA-N
MW833.12 g/mol
LogP8.94
Rot. Bonds14

About 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile

2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile (PubChem CID 159136575) has the molecular formula C44H48N12O2Si2 and a molecular weight of 833.12 g/mol. Its IUPAC name is 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile
PubChem CID159136575
Molecular FormulaC44H48N12O2Si2
Molecular Weight833.12 g/mol
Exact Mass832.36
IUPAC Name2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile
SMILESC[Si](C)(C)CCOCn1cc2ccc(-c3ccnn3-c3cc(C#N)ccn3)cc2n1.C[Si](C)(C)CCOCn1ncc2ccc(-c3ccnn3-c3cc(C#N)ccn3)cc21
InChIInChI=1S/2C22H24N6OSi/c1-30(2,3)11-10-29-16-27-15-19-5-4-18(13-20(19)26-27)21-7-9-25-28(21)22-12-17(14-23)6-8-24-22;1-30(2,3)11-10-29-16-27-21-13-18(4-5-19(21)15-26-27)20-7-9-25-28(20)22-12-17(14-23)6-8-24-22/h2*4-9,12-13,15H,10-11,16H2,1-3H3
InChIKeyKHOIGMURTDVJKU-UHFFFAOYSA-N
XLogP8.94
TPSA163.10 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500833.12
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile with MolForge

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Related Compounds

3-[(3S)-3-[2-fluoro-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzene-1,2-dicarbonitrile
CID 66820990
6-cyclohexyl-10-(6-fluoroquinolin-3-yl)-4-methyl-N,N-bis(2-trimethylsilylethoxymethyl)-1,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,4,7,9,11-pentaen-2-amine
CID 89865825
4-methyl-3-[4-(1-[2-(trimethylsilyl)ethoxy]methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-1-yl]benzonitrile
CID 57477685
6-[8-(4-Cyanophenyl)-13-(4-isocyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile
CID 58831211
2-(3-(7-(Bis((2-(trimethylsilyl)ethoxy)methyl)amino)-3-(quinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)cyclopentyl)acetonitrile
CID 66733406
2-(4-(7-(Bis((2-(trimethylsilyl)ethoxy)methyl)amino)-3-(quinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl)acetonitrile
CID 66733931
4-[(3S)-3-[(1S)-2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 66820840
2-[3-[7-[Bis(2-trimethylsilylethoxymethyl)amino]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl]-3-methylcyclopentyl]acetonitrile
CID 68073655
5-(1-methylpyrrolidin-3-yl)-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 68090758
4-[3-[(1S)-2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 68771695
3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)-5-[4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]cyclohexen-1-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 70217553
6-[8,13-Bis(4-cyanophenyl)-4,9,14-trimethyl-1,5,6,10,11,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-2,4,7,9,12,14-hexaen-3-yl]pyridine-3-carbonitrile
CID 71205190

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile (CID 159136575) is 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile is C[Si](C)(C)CCOCn1cc2ccc(-c3ccnn3-c3cc(C#N)ccn3)cc2n1.C[Si](C)(C)CCOCn1ncc2ccc(-c3ccnn3-c3cc(C#N)ccn3)cc21.
What is the InChIKey of 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile?
The InChIKey is KHOIGMURTDVJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H24N6OSi/c1-30(2,3)11-10-29-16-27-15-19-5-4-18(13-20(19)26-27)21-7-9-25-28(21)22-12-17(14-23)6-8-24-22;1-30(2,3)11-10-29-16-27-21-13-18(4-5-19(21)15-26-27)20-7-9-25-28(20)22-12-17(14-23)6-8-24-22/h2*4-9,12-13,15H,10-11,16H2,1-3H3.
What are the key properties of 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile?
2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile has a molecular weight of 833.12 g/mol, XLogP of 8.94, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile;2-[5-[2-(2-trimethylsilylethoxymethyl)indazol-6-yl]pyrazol-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 159136575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).