5-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C21H20N4O2 — CID 2033978

IUPAC5-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(CCn2c(C)nc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C21H20N4O2/c1-15-23-20-19(14-22-25(20)17-6-4-3-5-7-17)21(26)24(15)13-12-16-8-10-18(27-2)11-9-16/h3-11,14H,12-13H2,1-2H3
InChIKeyAYCLZOMUUUQXQW-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.14
Rot. Bonds5

About 5-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 2033978) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID2033978
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name5-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCOc1ccc(CCn2c(C)nc3c(cnn3-c3ccccc3)c2=O)cc1
InChIInChI=1S/C21H20N4O2/c1-15-23-20-19(14-22-25(20)17-6-4-3-5-7-17)21(26)24(15)13-12-16-8-10-18(27-2)11-9-16/h3-11,14H,12-13H2,1-2H3
InChIKeyAYCLZOMUUUQXQW-UHFFFAOYSA-N
XLogP3.14
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzoyl-1-(4-methoxyphenyl)-1H-pyrazol-5-amine
CID 11601759
4-methoxy-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869417
1-(4-methoxyphenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869429
1-[4-(benzyloxy)phenyl]-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869431
1-(4-Methoxy-phenyl)-5-(2-oxo-propyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 1433727
[7-(Difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 1094062
1-(4-chlorophenyl)-5-(3-methoxyphenyl)-6-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3235579
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-6-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3244187
1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3244806
1-(4-Chlorophenyl)-5-(4-ethoxyphenyl)-6-ethyl-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 15990634
6-(3-fluorophenyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15990659
N-[bis(4-methoxyphenyl)methyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44232172

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 2033978) is 5-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is COc1ccc(CCn2c(C)nc3c(cnn3-c3ccccc3)c2=O)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AYCLZOMUUUQXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-15-23-20-19(14-22-25(20)17-6-4-3-5-7-17)21(26)24(15)13-12-16-8-10-18(27-2)11-9-16/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 5-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 360.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 2033978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).