2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]tetrazol-5-yl]-1-(naphthalen-1-ylmethyl)indole-6-carbonitrile

C29H32N6OSi — CID 152732821

IUPAC2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]tetrazol-5-yl]-1-(naphthalen-1-ylmethyl)indole-6-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OCCn1nnnc1-c1cc2ccc(C#N)cc2n1Cc1cccc2ccccc12
InChIInChI=1S/C29H32N6OSi/c1-29(2,3)37(4,5)36-16-15-35-28(31-32-33-35)27-18-23-14-13-21(19-30)17-26(23)34(27)20-24-11-8-10-22-9-6-7-12-25(22)24/h6-14,17-18H,15-16,20H2,1-5H3
InChIKeyZXZFAWLIMGTPSL-UHFFFAOYSA-N
MW508.70 g/mol
LogP6.39
Rot. Bonds7

About 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]tetrazol-5-yl]-1-(naphthalen-1-ylmethyl)indole-6-carbonitrile

2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]tetrazol-5-yl]-1-(naphthalen-1-ylmethyl)indole-6-carbonitrile (PubChem CID 152732821) has the molecular formula C29H32N6OSi and a molecular weight of 508.70 g/mol. Its IUPAC name is 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]tetrazol-5-yl]-1-(naphthalen-1-ylmethyl)indole-6-carbonitrile.

Molecular Properties

Compound Name2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]tetrazol-5-yl]-1-(naphthalen-1-ylmethyl)indole-6-carbonitrile
PubChem CID152732821
Molecular FormulaC29H32N6OSi
Molecular Weight508.70 g/mol
Exact Mass508.24
IUPAC Name2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]tetrazol-5-yl]-1-(naphthalen-1-ylmethyl)indole-6-carbonitrile
SMILESCC(C)(C)[Si](C)(C)OCCn1nnnc1-c1cc2ccc(C#N)cc2n1Cc1cccc2ccccc12
InChIInChI=1S/C29H32N6OSi/c1-29(2,3)37(4,5)36-16-15-35-28(31-32-33-35)27-18-23-14-13-21(19-30)17-26(23)34(27)20-24-11-8-10-22-9-6-7-12-25(22)24/h6-14,17-18H,15-16,20H2,1-5H3
InChIKeyZXZFAWLIMGTPSL-UHFFFAOYSA-N
XLogP6.39
TPSA81.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.70
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[6-cyano-1-(naphthalen-1-ylmethyl)indol-2-yl]carbamic acid
CID 146459969
ethyl 3-[6-cyano-3-(naphthalen-1-ylmethyl)-2-oxobenzimidazol-1-yl]propanoate
CID 59497422
ethyl 6-cyano-3-formyl-1-(naphthalen-1-ylmethyl)indole-2-carboxylate
CID 146459917
3-[2-(5-tert-butyltetrazol-1-yl)ethoxy]benzonitrile
CID 51096553
6-bromo-1-(naphthalen-1-ylmethyl)-2-(2H-tetrazol-5-yl)indole
CID 146459786
3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzonitrile
CID 22050298
tert-butyl-[2-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethoxy]-dimethylsilane;4-methoxycinnoline-3-carbonitrile
CID 67376602
3-[2-[tert-butyl(dimethyl)silyl]oxyacetyl]benzonitrile
CID 69026897
3-fluoro-4-[(2-methylindol-1-yl)methyl]benzonitrile
CID 63811278
1-[(1-butyltetrazol-5-yl)methyl]-2-oxoquinoline-6-carbonitrile
CID 154769811
ethyl 6-cyano-1-(2-fluoroethyl)indole-2-carboxylate
CID 142633823
2-tert-butyl-1-(naphthalen-1-ylmethyl)benzimidazole
CID 18811357

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]tetrazol-5-yl]-1-(naphthalen-1-ylmethyl)indole-6-carbonitrile?
The IUPAC name of 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]tetrazol-5-yl]-1-(naphthalen-1-ylmethyl)indole-6-carbonitrile (CID 152732821) is 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]tetrazol-5-yl]-1-(naphthalen-1-ylmethyl)indole-6-carbonitrile.
What is the SMILES notation for 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]tetrazol-5-yl]-1-(naphthalen-1-ylmethyl)indole-6-carbonitrile?
The canonical SMILES for 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]tetrazol-5-yl]-1-(naphthalen-1-ylmethyl)indole-6-carbonitrile is CC(C)(C)[Si](C)(C)OCCn1nnnc1-c1cc2ccc(C#N)cc2n1Cc1cccc2ccccc12.
What is the InChIKey of 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]tetrazol-5-yl]-1-(naphthalen-1-ylmethyl)indole-6-carbonitrile?
The InChIKey is ZXZFAWLIMGTPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6OSi/c1-29(2,3)37(4,5)36-16-15-35-28(31-32-33-35)27-18-23-14-13-21(19-30)17-26(23)34(27)20-24-11-8-10-22-9-6-7-12-25(22)24/h6-14,17-18H,15-16,20H2,1-5H3.
What are the key properties of 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]tetrazol-5-yl]-1-(naphthalen-1-ylmethyl)indole-6-carbonitrile?
2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]tetrazol-5-yl]-1-(naphthalen-1-ylmethyl)indole-6-carbonitrile has a molecular weight of 508.70 g/mol, XLogP of 6.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]tetrazol-5-yl]-1-(naphthalen-1-ylmethyl)indole-6-carbonitrile is sourced from PubChem (CID 152732821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).