1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

C18H12N6O2S — CID 39967056

IUPAC1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C18H12N6O2S/c25-18-13-9-20-24(12-5-2-1-3-6-12)16(13)19-11-23(18)10-15-21-22-17(26-15)14-7-4-8-27-14/h1-9,11H,10H2
InChIKeyVWHPTFXLJQIQIA-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.74
Rot. Bonds4

About 1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 39967056) has the molecular formula C18H12N6O2S and a molecular weight of 376.40 g/mol. Its IUPAC name is 1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID39967056
Molecular FormulaC18H12N6O2S
Molecular Weight376.40 g/mol
Exact Mass376.07
IUPAC Name1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C18H12N6O2S/c25-18-13-9-20-24(12-5-2-1-3-6-12)16(13)19-11-23(18)10-15-21-22-17(26-15)14-7-4-8-27-14/h1-9,11H,10H2
InChIKeyVWHPTFXLJQIQIA-UHFFFAOYSA-N
XLogP2.74
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-[(2,6-dichlorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7679714
5-(2-aminoethyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one;hydrochloride
CID 75366014
1-ethyl-5-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 99836538
5-[(2,4-dimethylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 2047328
4-methyl-2-oxo-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carbonitrile
CID 75505849
5-[(2-chloro-6-fluorophenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7518876
3-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 38827444
5-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 24592755
1-(4-chlorophenyl)-5-[(4-chlorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 6623238
N-[4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 24617001
5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7087494
5-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 39976610

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 39967056) is 1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2ncn1Cc1nnc(-c2cccs2)o1.
What is the InChIKey of 1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VWHPTFXLJQIQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6O2S/c25-18-13-9-20-24(12-5-2-1-3-6-12)16(13)19-11-23(18)10-15-21-22-17(26-15)14-7-4-8-27-14/h1-9,11H,10H2.
What are the key properties of 1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 376.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 39967056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).