1-phenyl-6-propan-2-ylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C14H14N4OS — CID 135500631

IUPAC1-phenyl-6-propan-2-ylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H14N4OS/c1-9(2)20-14-16-12-11(13(19)17-14)8-15-18(12)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17,19)
InChIKeyXVELRVLAUSXTAA-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.61
Rot. Bonds3

About 1-phenyl-6-propan-2-ylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-phenyl-6-propan-2-ylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135500631) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-phenyl-6-propan-2-ylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-phenyl-6-propan-2-ylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135500631
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name1-phenyl-6-propan-2-ylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C14H14N4OS/c1-9(2)20-14-16-12-11(13(19)17-14)8-15-18(12)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17,19)
InChIKeyXVELRVLAUSXTAA-UHFFFAOYSA-N
XLogP2.61
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-((1-(3-Chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)propanamide
CID 135398509
5-Amino-1-phenyl-4-pyrazolecarboxamide
CID 1802
1,5-dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408735
1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 132259554
6-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135401776
7-phenyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one
CID 135423160
1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135473046
1-(3-chlorophenyl)-6-(2-hydroxyethylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136232559
5-Amino-6-ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 940122
5-Amino-1-phenyl-6-prop-2-enylsulfanylpyrazolo[3,4-d]pyrimidin-4-one
CID 1855852
5-Amino-1-phenyl-6-propylsulfanylpyrazolo[3,4-d]pyrimidin-4-one
CID 1983606
N-methyl-2-((4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)-N-phenylacetamide
CID 135831523

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-propan-2-ylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-phenyl-6-propan-2-ylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135500631) is 1-phenyl-6-propan-2-ylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-phenyl-6-propan-2-ylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-phenyl-6-propan-2-ylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 1-phenyl-6-propan-2-ylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XVELRVLAUSXTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9(2)20-14-16-12-11(13(19)17-14)8-15-18(12)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,16,17,19).
What are the key properties of 1-phenyl-6-propan-2-ylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-phenyl-6-propan-2-ylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 286.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-propan-2-ylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135500631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).