1-phenyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H18N4O2 — CID 162668597

IUPAC1-phenyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)Oc1ccccc1-c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C20H18N4O2/c1-13(2)26-17-11-7-6-10-15(17)18-22-19-16(20(25)23-18)12-21-24(19)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,22,23,25)
InChIKeyBPBQNQUKBPQXJY-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.56
Rot. Bonds4

About 1-phenyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-phenyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 162668597) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-phenyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-phenyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID162668597
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-phenyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)Oc1ccccc1-c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C20H18N4O2/c1-13(2)26-17-11-7-6-10-15(17)18-22-19-16(20(25)23-18)12-21-24(19)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,22,23,25)
InChIKeyBPBQNQUKBPQXJY-UHFFFAOYSA-N
XLogP3.56
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-YL][3-(piperidin-4-yloxy)phenyl]methanone
CID 5327066
1-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-3-(4-fluoro-phenyl)-urea
CID 135423938
3-Methyl-6-(2-propoxy-phenyl)-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135503803
N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-phenyl]-acetamide
CID 135536802
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
6-(2-Ethoxy-phenyl)-3-methyl-1-propyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 136132276
1-(4-Methoxy-phenyl)-5-(2-oxo-propyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 1433727
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
1-Methyl-5-phenyl-6-(1-phenylethoxy)pyrazolo[5,4-d]pyrimidin-4-one
CID 132259102
6-[(3-Fluorophenoxy)methyl]-1-methyl-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 132259679

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-phenyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 162668597) is 1-phenyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-phenyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-phenyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC(C)Oc1ccccc1-c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 1-phenyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BPBQNQUKBPQXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13(2)26-17-11-7-6-10-15(17)18-22-19-16(20(25)23-18)12-21-24(19)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,22,23,25).
What are the key properties of 1-phenyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-phenyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 346.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-(2-propan-2-yloxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 162668597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).