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

C17H20N8O2S2 — CID 15399249

IUPAC5-methyl-1-[3-(5-methyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nc2c(cnn2CCCn2ncc3c(=O)n(C)c(SC)nc32)c(=O)n1C
InChIInChI=1S/C17H20N8O2S2/c1-22-14(26)10-8-18-24(12(10)20-16(22)28-3)6-5-7-25-13-11(9-19-25)15(27)23(2)17(21-13)29-4/h8-9H,5-7H2,1-4H3
InChIKeyFEFDNAWXBVPSGL-UHFFFAOYSA-N
MW432.54 g/mol
LogP1.11
Rot. Bonds6

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

5-methyl-1-[3-(5-methyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 15399249) has the molecular formula C17H20N8O2S2 and a molecular weight of 432.54 g/mol. Its IUPAC name is 5-methyl-1-[3-(5-methyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-1-[3-(5-methyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID15399249
Molecular FormulaC17H20N8O2S2
Molecular Weight432.54 g/mol
Exact Mass432.12
IUPAC Name5-methyl-1-[3-(5-methyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nc2c(cnn2CCCn2ncc3c(=O)n(C)c(SC)nc32)c(=O)n1C
InChIInChI=1S/C17H20N8O2S2/c1-22-14(26)10-8-18-24(12(10)20-16(22)28-3)6-5-7-25-13-11(9-19-25)15(27)23(2)17(21-13)29-4/h8-9H,5-7H2,1-4H3
InChIKeyFEFDNAWXBVPSGL-UHFFFAOYSA-N
XLogP1.11
TPSA105.42 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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

Launch Full Analysis

Related Compounds

Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 1-methyl-
CID 609734
1,1'-(1,3-propanediyl)bis(5-ethyl-6-methylthio-4,5-dihydro-1H-pyrazolo(3,4-d)pyrimidin-4-one)
CID 90696150
6,7-Dihydro-2-methylpyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4(2H)-one
CID 610342
6,7-Dihydro-1-methylpyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4(1H)-one
CID 10198195
5-[(5-Ethyl-1,3,4-thiadiazol-2-yl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 136529837
6-(2,2,2-Trifluoroethyl)-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 15337427
US12187729, Example 37
CID 146636582
1,1'-(butane-1,4-diyl)bis(5-methyl-6-methylthio-4,5-dihydro-1H-pyrazolo[3,4-d] pyrimidin-4-one
CID 15399252
1,5-Dibutylallopurinol
CID 609549
2,5-Dimethyl-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-one
CID 13701200
6-Tert-butyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 15337425
5-Tert-butyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one
CID 15337426

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[3-(5-methyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-1-[3-(5-methyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one (CID 15399249) is 5-methyl-1-[3-(5-methyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-1-[3-(5-methyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-1-[3-(5-methyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one is CSc1nc2c(cnn2CCCn2ncc3c(=O)n(C)c(SC)nc32)c(=O)n1C.
What is the InChIKey of 5-methyl-1-[3-(5-methyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FEFDNAWXBVPSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2S2/c1-22-14(26)10-8-18-24(12(10)20-16(22)28-3)6-5-7-25-13-11(9-19-25)15(27)23(2)17(21-13)29-4/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-methyl-1-[3-(5-methyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one?
5-methyl-1-[3-(5-methyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 432.54 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[3-(5-methyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 15399249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).