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

C19H24N8O2S2 — CID 90696150

IUPAC5-ethyl-1-[3-(5-ethyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCn1c(SC)nc2c(cnn2CCCn2ncc3c(=O)n(CC)c(SC)nc32)c1=O
InChIInChI=1S/C19H24N8O2S2/c1-5-24-16(28)12-10-20-26(14(12)22-18(24)30-3)8-7-9-27-15-13(11-21-27)17(29)25(6-2)19(23-15)31-4/h10-11H,5-9H2,1-4H3
InChIKeyKEQCALBHWWLEGG-UHFFFAOYSA-N
MW460.59 g/mol
LogP2.07
Rot. Bonds8

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

5-ethyl-1-[3-(5-ethyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 90696150) has the molecular formula C19H24N8O2S2 and a molecular weight of 460.59 g/mol. Its IUPAC name is 5-ethyl-1-[3-(5-ethyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-ethyl-1-[3-(5-ethyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID90696150
Molecular FormulaC19H24N8O2S2
Molecular Weight460.59 g/mol
Exact Mass460.15
IUPAC Name5-ethyl-1-[3-(5-ethyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCCn1c(SC)nc2c(cnn2CCCn2ncc3c(=O)n(CC)c(SC)nc32)c1=O
InChIInChI=1S/C19H24N8O2S2/c1-5-24-16(28)12-10-20-26(14(12)22-18(24)30-3)8-7-9-27-15-13(11-21-27)17(29)25(6-2)19(23-15)31-4/h10-11H,5-9H2,1-4H3
InChIKeyKEQCALBHWWLEGG-UHFFFAOYSA-N
XLogP2.07
TPSA105.42 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.59
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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

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Launch Full Analysis

Related Compounds

Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 1-methyl-
CID 609734
Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 1,6-dimethyl-
CID 3073768
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
6-Ethyl-1-methyl-5-propylpyrazolo[3,4-d]pyrimidin-4-one
CID 337104
1,3-bis(5-methyl-6-methylthio-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)propane
CID 15399249
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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[3-(5-ethyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-ethyl-1-[3-(5-ethyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one (CID 90696150) is 5-ethyl-1-[3-(5-ethyl-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-ethyl-1-[3-(5-ethyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-ethyl-1-[3-(5-ethyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one is CCn1c(SC)nc2c(cnn2CCCn2ncc3c(=O)n(CC)c(SC)nc32)c1=O.
What is the InChIKey of 5-ethyl-1-[3-(5-ethyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KEQCALBHWWLEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N8O2S2/c1-5-24-16(28)12-10-20-26(14(12)22-18(24)30-3)8-7-9-27-15-13(11-21-27)17(29)25(6-2)19(23-15)31-4/h10-11H,5-9H2,1-4H3.
What are the key properties of 5-ethyl-1-[3-(5-ethyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one?
5-ethyl-1-[3-(5-ethyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 460.59 g/mol, XLogP of 2.07, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[3-(5-ethyl-6-methylsulfanyl-4-oxopyrazolo[5,4-d]pyrimidin-1-yl)propyl]-6-methylsulfanylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 90696150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).