3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one

C22H20FN7O2 — CID 647915

IUPAC3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
SMILESO=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H20FN7O2/c23-18-8-4-5-9-19(18)27-10-12-28(13-11-27)20(31)15-29-22(32)17-14-24-30(21(17)25-26-29)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
InChIKeyLIUCVGFQSJSGIQ-UHFFFAOYSA-N
MW433.45 g/mol
LogP1.47
Rot. Bonds4

About 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one

3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one (PubChem CID 647915) has the molecular formula C22H20FN7O2 and a molecular weight of 433.45 g/mol. Its IUPAC name is 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
PubChem CID647915
Molecular FormulaC22H20FN7O2
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC Name3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one
SMILESO=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H20FN7O2/c23-18-8-4-5-9-19(18)27-10-12-28(13-11-27)20(31)15-29-22(32)17-14-24-30(21(17)25-26-29)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2
InChIKeyLIUCVGFQSJSGIQ-UHFFFAOYSA-N
XLogP1.47
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one with MolForge

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Related Compounds

1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135473046
2-[1-(3,4-Dimethyl-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-N,N-dimethyl-acetamide
CID 1433582
methyl (4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate
CID 6620190
1-(4-Fluorophenyl)-6-methyl-5-(3-methylphenyl)-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 3242334
N-(4-acetamidophenyl)-2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamide
CID 3242942
6-[2-(3-Fluorophenyl)ethyl]-1-methyl-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 132258853
6-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 132259538
6-[(3-Fluoroanilino)methyl]-1-methyl-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 132260168
Pyrazolo[3,4-d]pyrimidin-4(5H)-one, 5-allyl-6-methyl-1-phenyl-
CID 535047
5-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 706707

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one (CID 647915) is 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one is O=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is LIUCVGFQSJSGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O2/c23-18-8-4-5-9-19(18)27-10-12-28(13-11-27)20(31)15-29-22(32)17-14-24-30(21(17)25-26-29)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2.
What are the key properties of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one?
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 433.45 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-phenylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 647915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).