1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one

C17H20N8O2S2 — CID 15399250

IUPAC1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1nc(SC)nc2c1cnn2CCCn1ncc2c(=O)n(C)c(SC)nc21
InChIInChI=1S/C17H20N8O2S2/c1-23-15(26)11-9-19-25(13(11)21-17(23)29-4)7-5-6-24-12-10(8-18-24)14(27-2)22-16(20-12)28-3/h8-9H,5-7H2,1-4H3
InChIKeyREXWYYGUQUICPR-UHFFFAOYSA-N
MW432.54 g/mol
LogP1.81
Rot. Bonds7

About 1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one

1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 15399250) has the molecular formula C17H20N8O2S2 and a molecular weight of 432.54 g/mol. Its IUPAC name is 1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID15399250
Molecular FormulaC17H20N8O2S2
Molecular Weight432.54 g/mol
Exact Mass432.12
IUPAC Name1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1nc(SC)nc2c1cnn2CCCn1ncc2c(=O)n(C)c(SC)nc21
InChIInChI=1S/C17H20N8O2S2/c1-23-15(26)11-9-19-25(13(11)21-17(23)29-4)7-5-6-24-12-10(8-18-24)14(27-2)22-16(20-12)28-3/h8-9H,5-7H2,1-4H3
InChIKeyREXWYYGUQUICPR-UHFFFAOYSA-N
XLogP1.81
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

4-(4-amino-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol
CID 24763692
1-ethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride
CID 175693052
4-methoxy-6-methylsulfanyl-1H-pyrazolo[5,4-d]pyrimidine
CID 55264858
4-chloro-6-methylsulfanyl-1-prop-2-enylpyrazolo[5,4-d]pyrimidine
CID 72720922
N-[2-[4-(2-methoxyethylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2,2-dimethylpropanamide
CID 16901212
2-methoxy-N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 16900786
1-(7-diethoxyphosphoryl-7,7-difluoroheptyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine
CID 10622749
N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]cyclopropanecarboxamide
CID 16901656
2-(4-methoxyphenoxy)-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
CID 16901740
N-[2-[4-(2-methylpropylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]acetamide
CID 16901061
ethyl 2-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethylamino]-2-oxoacetate
CID 16900908
1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 10731071

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one (CID 15399250) is 1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one is COc1nc(SC)nc2c1cnn2CCCn1ncc2c(=O)n(C)c(SC)nc21.
What is the InChIKey of 1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is REXWYYGUQUICPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2S2/c1-23-15(26)11-9-19-25(13(11)21-17(23)29-4)7-5-6-24-12-10(8-18-24)14(27-2)22-16(20-12)28-3/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one?
1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 432.54 g/mol, XLogP of 1.81, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxy-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)propyl]-5-methyl-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 15399250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).