5-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C20H24N4O2 — CID 33414472

IUPAC5-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)c1ccc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C(C)C)c1
InChIInChI=1S/C20H24N4O2/c1-12(2)14-6-7-15(16(8-14)13(3)4)18(25)10-24-11-21-19-17(20(24)26)9-22-23(19)5/h6-9,11-13H,10H2,1-5H3
InChIKeyAJNMGKXCVJXAAA-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.26
Rot. Bonds5

About 5-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 33414472) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID33414472
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name5-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)c1ccc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C(C)C)c1
InChIInChI=1S/C20H24N4O2/c1-12(2)14-6-7-15(16(8-14)13(3)4)18(25)10-24-11-21-19-17(20(24)26)9-22-23(19)5/h6-9,11-13H,10H2,1-5H3
InChIKeyAJNMGKXCVJXAAA-UHFFFAOYSA-N
XLogP3.26
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 8594583
(2-propan-2-ylphenyl) 2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetate
CID 86915548
5-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 17400644
N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(1-phenylethyl)acetamide
CID 51202548
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
N-benzyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-propan-2-ylacetamide
CID 27559502
N-[1-(4-tert-butylphenyl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 24597429
6-amino-1,3-dimethyl-5-[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]pyrimidine-2,4-dione
CID 24585004
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 47025846
N-ethyl-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 134063303
5-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 17489940
potassium trifluoro-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)prop-1-en-2-yl]boranuide
CID 106746393

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 33414472) is 5-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is CC(C)c1ccc(C(=O)Cn2cnc3c(cnn3C)c2=O)c(C(C)C)c1.
What is the InChIKey of 5-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AJNMGKXCVJXAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12(2)14-6-7-15(16(8-14)13(3)4)18(25)10-24-11-21-19-17(20(24)26)9-22-23(19)5/h6-9,11-13H,10H2,1-5H3.
What are the key properties of 5-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 352.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 33414472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).