[1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate

C17H24N4O5 — CID 15115633

IUPAC[1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCn1cnc2c(cnn2COC(=O)C(C)(C)C)c1=O
InChIInChI=1S/C17H24N4O5/c1-16(2,3)14(23)25-9-20-8-18-12-11(13(20)22)7-19-21(12)10-26-15(24)17(4,5)6/h7-8H,9-10H2,1-6H3
InChIKeyXEXFVLNTPDXOJB-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.69
Rot. Bonds4

About [1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate

[1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate (PubChem CID 15115633) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is [1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate
PubChem CID15115633
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Name[1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCn1cnc2c(cnn2COC(=O)C(C)(C)C)c1=O
InChIInChI=1S/C17H24N4O5/c1-16(2,3)14(23)25-9-20-8-18-12-11(13(20)22)7-19-21(12)10-26-15(24)17(4,5)6/h7-8H,9-10H2,1-6H3
InChIKeyXEXFVLNTPDXOJB-UHFFFAOYSA-N
XLogP1.69
TPSA105.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate with MolForge

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Related Compounds

(4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)methyl 2,2-dimethylpropanoate
CID 91662456
methyl 3-[1-(3-methoxy-3-oxopropyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoate
CID 102282878
(3-methyl-2,6-dioxopurin-7-yl)methyl 2,2-dimethylpropanoate
CID 102157464
1-(2-aminoethyl)-5-propylpyrazolo[5,4-d]pyrimidin-4-one
CID 97036259
(5-hydroxy-6-methoxy-4-oxoquinazolin-3-yl)methyl 2,2-dimethylpropanoate
CID 11974824
2,2-dimethyl-N-[2-[5-[(4-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide
CID 40908390
3-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-ethylpropanamide
CID 16881949
ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 43423148
[7-[2-[2,2-dimethylpropanoyl(methyl)amino]ethoxy]-6-methoxy-4-oxoquinazolin-3-yl]methyl 2,2-dimethylpropanoate
CID 22624922
2,2-dimethyl-N-[2-[5-[(3-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide
CID 42391944
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
[2-methyl-6-(methylamino)purin-9-yl]methyl 2,2-dimethylpropanoate
CID 11346459

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate (CID 15115633) is [1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCn1cnc2c(cnn2COC(=O)C(C)(C)C)c1=O.
What is the InChIKey of [1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is XEXFVLNTPDXOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5/c1-16(2,3)14(23)25-9-20-8-18-12-11(13(20)22)7-19-21(12)10-26-15(24)17(4,5)6/h7-8H,9-10H2,1-6H3.
What are the key properties of [1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate?
[1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 364.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethylpropanoyloxymethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 15115633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).