1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one

C20H15ClN4O3 — CID 1433738

IUPAC1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(C(=O)Cn2cnc3c(cnn3-c3ccccc3Cl)c2=O)cc1
InChIInChI=1S/C20H15ClN4O3/c1-28-14-8-6-13(7-9-14)18(26)11-24-12-22-19-15(20(24)27)10-23-25(19)17-5-3-2-4-16(17)21/h2-10,12H,11H2,1H3
InChIKeyCFKAFXBXXMGKOQ-UHFFFAOYSA-N
MW394.82 g/mol
LogP3.13
Rot. Bonds5

About 1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 1433738) has the molecular formula C20H15ClN4O3 and a molecular weight of 394.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID1433738
Molecular FormulaC20H15ClN4O3
Molecular Weight394.82 g/mol
Exact Mass394.08
IUPAC Name1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(C(=O)Cn2cnc3c(cnn3-c3ccccc3Cl)c2=O)cc1
InChIInChI=1S/C20H15ClN4O3/c1-28-14-8-6-13(7-9-14)18(26)11-24-12-22-19-15(20(24)27)10-23-25(19)17-5-3-2-4-16(17)21/h2-10,12H,11H2,1H3
InChIKeyCFKAFXBXXMGKOQ-UHFFFAOYSA-N
XLogP3.13
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.82
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(4-methoxyphenyl)-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7160468
2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyphenyl)acetamide
CID 1433748
5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 1433777
2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-phenylethyl)acetamide
CID 1433797
N-(3-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433658
5-[2-(4-chlorophenyl)-2-oxoethyl]-1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243922
1-(3-chlorophenyl)-5-[2-(4-chlorophenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 7243770
benzyl 2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetate
CID 648375
5-[2-(4-fluorophenyl)-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7679716
1-(2-methylphenyl)-5-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 78793433
1-(4-methoxyphenyl)-5-(2-methylprop-2-enyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 155976989
N-benzyl-2-[1-(4-methoxyphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433640

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 1433738) is 1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(C(=O)Cn2cnc3c(cnn3-c3ccccc3Cl)c2=O)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CFKAFXBXXMGKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O3/c1-28-14-8-6-13(7-9-14)18(26)11-24-12-22-19-15(20(24)27)10-23-25(19)17-5-3-2-4-16(17)21/h2-10,12H,11H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 394.82 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-[2-(4-methoxyphenyl)-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 1433738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).