5-amino-6-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C18H15N5OS — CID 851706

IUPAC5-amino-6-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESNn1c(SCc2ccccc2)nc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C18H15N5OS/c19-22-17(24)15-11-20-23(14-9-5-2-6-10-14)16(15)21-18(22)25-12-13-7-3-1-4-8-13/h1-11H,12,19H2
InChIKeyODZKDVCDRZRHOR-UHFFFAOYSA-N
MW349.42 g/mol
LogP2.59
Rot. Bonds4

About 5-amino-6-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-amino-6-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 851706) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 5-amino-6-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID851706
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name5-amino-6-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESNn1c(SCc2ccccc2)nc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C18H15N5OS/c19-22-17(24)15-11-20-23(14-9-5-2-6-10-14)16(15)21-18(22)25-12-13-7-3-1-4-8-13/h1-11H,12,19H2
InChIKeyODZKDVCDRZRHOR-UHFFFAOYSA-N
XLogP2.59
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
6-[(3-fluorophenyl)methylsulfanyl]-5-(2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3248741
1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 132259554
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
7-phenyl-3H,4H,7H-pyrazolo[3,4-d][1,2,3]triazin-4-one
CID 135423160
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
5-amino-1-phenyl-N'-(phenylmethylene)-1H-pyrazole-4-carbohydrazide
CID 9583770
5-Amino-6-methylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 709807
1-(4-Fluorophenyl)-6-methyl-5-(3-methylphenyl)-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 3242334
6-(3-Methylphenyl)-5-(4-methylphenyl)-1-phenyl-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 1347663

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-amino-6-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 851706) is 5-amino-6-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Nn1c(SCc2ccccc2)nc2c(cnn2-c2ccccc2)c1=O.
What is the InChIKey of 5-amino-6-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ODZKDVCDRZRHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c19-22-17(24)15-11-20-23(14-9-5-2-6-10-14)16(15)21-18(22)25-12-13-7-3-1-4-8-13/h1-11H,12,19H2.
What are the key properties of 5-amino-6-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-amino-6-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 349.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 851706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).