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

C33H48N8O5Si — CID 174049406

IUPAC4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-1-(oxolan-3-yl)-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(C5CCOC5)c4n3)c2)cc(OC)c1OC
InChIInChI=1S/C33H48N8O5Si/c1-21-28-30(40-13-10-11-22(40)19-46-47(8,9)33(2,3)4)36-32(37-31(28)41(38-21)23-12-14-45-18-23)35-27-17-39(20-34-27)24-15-25(42-5)29(44-7)26(16-24)43-6/h15-17,20,22-23H,10-14,18-19H2,1-9H3,(H,35,36,37)
InChIKeyAVGRVTLFJYQCHM-UHFFFAOYSA-N
MW664.88 g/mol
LogP6.04
Rot. Bonds11

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

4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-1-(oxolan-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 174049406) has the molecular formula C33H48N8O5Si and a molecular weight of 664.88 g/mol. Its IUPAC name is 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-1-(oxolan-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-1-(oxolan-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID174049406
Molecular FormulaC33H48N8O5Si
Molecular Weight664.88 g/mol
Exact Mass664.35
IUPAC Name4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-1-(oxolan-3-yl)-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(C5CCOC5)c4n3)c2)cc(OC)c1OC
InChIInChI=1S/C33H48N8O5Si/c1-21-28-30(40-13-10-11-22(40)19-46-47(8,9)33(2,3)4)36-32(37-31(28)41(38-21)23-12-14-45-18-23)35-27-17-39(20-34-27)24-15-25(42-5)29(44-7)26(16-24)43-6/h15-17,20,22-23H,10-14,18-19H2,1-9H3,(H,35,36,37)
InChIKeyAVGRVTLFJYQCHM-UHFFFAOYSA-N
XLogP6.04
TPSA122.84 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500664.88
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-1-(oxolan-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-1-(oxolan-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine (CID 174049406) is 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-1-(oxolan-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-1-(oxolan-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-1-(oxolan-3-yl)-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(C5CCOC5)c4n3)c2)cc(OC)c1OC.
What is the InChIKey of 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-1-(oxolan-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is AVGRVTLFJYQCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48N8O5Si/c1-21-28-30(40-13-10-11-22(40)19-46-47(8,9)33(2,3)4)36-32(37-31(28)41(38-21)23-12-14-45-18-23)35-27-17-39(20-34-27)24-15-25(42-5)29(44-7)26(16-24)43-6/h15-17,20,22-23H,10-14,18-19H2,1-9H3,(H,35,36,37).
What are the key properties of 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-1-(oxolan-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine?
4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-1-(oxolan-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 664.88 g/mol, XLogP of 6.04, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-3-methyl-1-(oxolan-3-yl)-N-[1-(3,4,5-trimethoxyphenyl)imidazol-4-yl]pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 174049406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).