2-(4-methoxyphenyl)-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one

C16H12N4O2S — CID 137189870

IUPAC2-(4-methoxyphenyl)-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCOc1ccc(-n2cc3nc(-c4cccs4)[nH]c(=O)c3n2)cc1
InChIInChI=1S/C16H12N4O2S/c1-22-11-6-4-10(5-7-11)20-9-12-14(19-20)16(21)18-15(17-12)13-3-2-8-23-13/h2-9H,1H3,(H,17,18,21)
InChIKeyLOTZSGUZXZBKGJ-UHFFFAOYSA-N
MW324.37 g/mol
LogP2.85
Rot. Bonds3

About 2-(4-methoxyphenyl)-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one

2-(4-methoxyphenyl)-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 137189870) has the molecular formula C16H12N4O2S and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID137189870
Molecular FormulaC16H12N4O2S
Molecular Weight324.37 g/mol
Exact Mass324.07
IUPAC Name2-(4-methoxyphenyl)-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCOc1ccc(-n2cc3nc(-c4cccs4)[nH]c(=O)c3n2)cc1
InChIInChI=1S/C16H12N4O2S/c1-22-11-6-4-10(5-7-11)20-9-12-14(19-20)16(21)18-15(17-12)13-3-2-8-23-13/h2-9H,1H3,(H,17,18,21)
InChIKeyLOTZSGUZXZBKGJ-UHFFFAOYSA-N
XLogP2.85
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde
CID 38997103
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CID 135405767
7-methoxy-3-thiophen-2-yl-1H-quinoxalin-2-one
CID 21083674
5-(4-imidazol-1-ylphenyl)-4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
CID 25031375
2-[4-(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]ethanamine
CID 59641944
1-(4-methoxyphenyl)-3-thiophen-2-ylpyrazole-5-carboxylate
CID 6946083
6-iodo-2-thiophen-2-yl-3H-quinazolin-4-one
CID 135436359
6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946757
4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one
CID 137099069
2-methyl-5-thiophen-2-yl-4H-1,2,4-triazol-3-one
CID 137219354
2-(4-methoxyphenyl)ethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 7841176
7-[(2,6-difluoro-4-methoxyphenyl)methyl]-2-thiophen-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863982

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 2-(4-methoxyphenyl)-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 137189870) is 2-(4-methoxyphenyl)-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-methoxyphenyl)-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one is COc1ccc(-n2cc3nc(-c4cccs4)[nH]c(=O)c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is LOTZSGUZXZBKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2S/c1-22-11-6-4-10(5-7-11)20-9-12-14(19-20)16(21)18-15(17-12)13-3-2-8-23-13/h2-9H,1H3,(H,17,18,21).
What are the key properties of 2-(4-methoxyphenyl)-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
2-(4-methoxyphenyl)-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 324.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-thiophen-2-yl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 137189870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).