N-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]pyrazol-4-yl]-5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-amine

C40H44F2N6OSi — CID 171820970

IUPACN-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]pyrazol-4-yl]-5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(-c2cnc(Nc3cnn(C4CCC(CCO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC4)c3)c3nccn23)c(F)cc1F
InChIInChI=1S/C40H44F2N6OSi/c1-28-23-34(36(42)24-35(28)41)37-26-44-38(39-43-20-21-47(37)39)46-30-25-45-48(27-30)31-17-15-29(16-18-31)19-22-49-50(40(2,3)4,32-11-7-5-8-12-32)33-13-9-6-10-14-33/h5-14,20-21,23-27,29,31H,15-19,22H2,1-4H3,(H,44,46)
InChIKeyAZPABWIRIIQAEO-UHFFFAOYSA-N
MW690.92 g/mol
LogP8.62
Rot. Bonds10

About N-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]pyrazol-4-yl]-5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-amine

N-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]pyrazol-4-yl]-5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 171820970) has the molecular formula C40H44F2N6OSi and a molecular weight of 690.92 g/mol. Its IUPAC name is N-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]pyrazol-4-yl]-5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]pyrazol-4-yl]-5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID171820970
Molecular FormulaC40H44F2N6OSi
Molecular Weight690.92 g/mol
Exact Mass690.33
IUPAC NameN-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]pyrazol-4-yl]-5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1cc(-c2cnc(Nc3cnn(C4CCC(CCO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC4)c3)c3nccn23)c(F)cc1F
InChIInChI=1S/C40H44F2N6OSi/c1-28-23-34(36(42)24-35(28)41)37-26-44-38(39-43-20-21-47(37)39)46-30-25-45-48(27-30)31-17-15-29(16-18-31)19-22-49-50(40(2,3)4,32-11-7-5-8-12-32)33-13-9-6-10-14-33/h5-14,20-21,23-27,29,31H,15-19,22H2,1-4H3,(H,44,46)
InChIKeyAZPABWIRIIQAEO-UHFFFAOYSA-N
XLogP8.62
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.92
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]pyrazol-4-yl]-5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]pyrazol-4-yl]-5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 171820970) is N-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]pyrazol-4-yl]-5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]pyrazol-4-yl]-5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]pyrazol-4-yl]-5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-amine is Cc1cc(-c2cnc(Nc3cnn(C4CCC(CCO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC4)c3)c3nccn23)c(F)cc1F.
What is the InChIKey of N-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]pyrazol-4-yl]-5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is AZPABWIRIIQAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44F2N6OSi/c1-28-23-34(36(42)24-35(28)41)37-26-44-38(39-43-20-21-47(37)39)46-30-25-45-48(27-30)31-17-15-29(16-18-31)19-22-49-50(40(2,3)4,32-11-7-5-8-12-32)33-13-9-6-10-14-33/h5-14,20-21,23-27,29,31H,15-19,22H2,1-4H3,(H,44,46).
What are the key properties of N-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]pyrazol-4-yl]-5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-amine?
N-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]pyrazol-4-yl]-5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 690.92 g/mol, XLogP of 8.62, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-[tert-butyl(diphenyl)silyl]oxyethyl]cyclohexyl]pyrazol-4-yl]-5-(2,4-difluoro-5-methylphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 171820970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).