1-(4-fluorophenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one

C23H20F2N6O2 — CID 650213

IUPAC1-(4-fluorophenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H20F2N6O2/c24-16-5-7-17(8-6-16)31-22-18(13-27-31)23(33)30(15-26-22)14-21(32)29-11-9-28(10-12-29)20-4-2-1-3-19(20)25/h1-8,13,15H,9-12,14H2
InChIKeyXIJDFPRJCCQNLN-UHFFFAOYSA-N
MW450.45 g/mol
LogP2.21
Rot. Bonds4

About 1-(4-fluorophenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(4-fluorophenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 650213) has the molecular formula C23H20F2N6O2 and a molecular weight of 450.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID650213
Molecular FormulaC23H20F2N6O2
Molecular Weight450.45 g/mol
Exact Mass450.16
IUPAC Name1-(4-fluorophenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H20F2N6O2/c24-16-5-7-17(8-6-16)31-22-18(13-27-31)23(33)30(15-26-22)14-21(32)29-11-9-28(10-12-29)20-4-2-1-3-19(20)25/h1-8,13,15H,9-12,14H2
InChIKeyXIJDFPRJCCQNLN-UHFFFAOYSA-N
XLogP2.21
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
1,5-dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408735
(S)-5-((1-(4,4-difluoro-3-(3-fluoro-1H-pyrazol-1-yl)butanoyl)-4-hydroxypiperidin-4-yl)methyl)-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 121457027
N-cyclopropyl-5-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137441447
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
1-(4-fluorophenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869420
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
5-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-6-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3243545
6-(3-Methylphenyl)-5-(4-methylphenyl)-1-phenyl-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 1347663

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 650213) is 1-(4-fluorophenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one is O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XIJDFPRJCCQNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N6O2/c24-16-5-7-17(8-6-16)31-22-18(13-27-31)23(33)30(15-26-22)14-21(32)29-11-9-28(10-12-29)20-4-2-1-3-19(20)25/h1-8,13,15H,9-12,14H2.
What are the key properties of 1-(4-fluorophenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 450.45 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 650213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).