1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine

C41H66N8O5Si2 — CID 174051710

IUPAC1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOc1cc(-n2cnc(Nc3nc(N4CCCC4CO[Si](C)(C)C(C)(C)C)c4c(C)nn(C5CCC(O[Si](C)(C)C(C)(C)C)CC5)c4n3)c2)cc(OC)c1OC
InChIInChI=1S/C41H66N8O5Si2/c1-27-35-37(48-21-15-16-29(48)25-53-55(11,12)40(2,3)4)44-39(43-34-24-47(26-42-34)30-22-32(50-8)36(52-10)33(23-30)51-9)45-38(35)49(46-27)28-17-19-31(20-18-28)54-56(13,14)41(5,6)7/h22-24,26,28-29,31H,15-21,25H2,1-14H3,(H,43,44,45)
InChIKeyMBRPKGUUXMZHAZ-UHFFFAOYSA-N
MW807.20 g/mol
LogP9.59
Rot. Bonds13

About 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine

1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 174051710) has the molecular formula C41H66N8O5Si2 and a molecular weight of 807.20 g/mol. Its IUPAC name is 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID174051710
Molecular FormulaC41H66N8O5Si2
Molecular Weight807.20 g/mol
Exact Mass806.47
IUPAC Name1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOc1cc(-n2cnc(Nc3nc(N4CCCC4CO[Si](C)(C)C(C)(C)C)c4c(C)nn(C5CCC(O[Si](C)(C)C(C)(C)C)CC5)c4n3)c2)cc(OC)c1OC
InChIInChI=1S/C41H66N8O5Si2/c1-27-35-37(48-21-15-16-29(48)25-53-55(11,12)40(2,3)4)44-39(43-34-24-47(26-42-34)30-22-32(50-8)36(52-10)33(23-30)51-9)45-38(35)49(46-27)28-17-19-31(20-18-28)54-56(13,14)41(5,6)7/h22-24,26,28-29,31H,15-21,25H2,1-14H3,(H,43,44,45)
InChIKeyMBRPKGUUXMZHAZ-UHFFFAOYSA-N
XLogP9.59
TPSA122.84 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500807.20
LogP ≤ 59.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine (CID 174051710) is 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine is COc1cc(-n2cnc(Nc3nc(N4CCCC4CO[Si](C)(C)C(C)(C)C)c4c(C)nn(C5CCC(O[Si](C)(C)C(C)(C)C)CC5)c4n3)c2)cc(OC)c1OC.
What is the InChIKey of 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is MBRPKGUUXMZHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H66N8O5Si2/c1-27-35-37(48-21-15-16-29(48)25-53-55(11,12)40(2,3)4)44-39(43-34-24-47(26-42-34)30-22-32(50-8)36(52-10)33(23-30)51-9)45-38(35)49(46-27)28-17-19-31(20-18-28)54-56(13,14)41(5,6)7/h22-24,26,28-29,31H,15-21,25H2,1-14H3,(H,43,44,45).
What are the key properties of 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine?
1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 807.20 g/mol, XLogP of 9.59, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]-4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 174051710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).