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

C23H21FN6O2 — CID 650328

IUPAC5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H21FN6O2/c24-17-6-8-18(9-7-17)27-10-12-28(13-11-27)21(31)15-29-16-25-22-20(23(29)32)14-26-30(22)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2
InChIKeyHUVFRQVQOPSCBO-UHFFFAOYSA-N
MW432.46 g/mol
LogP2.07
Rot. Bonds4

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

5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 650328) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID650328
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H21FN6O2/c24-17-6-8-18(9-7-17)27-10-12-28(13-11-27)21(31)15-29-16-25-22-20(23(29)32)14-26-30(22)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2
InChIKeyHUVFRQVQOPSCBO-UHFFFAOYSA-N
XLogP2.07
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 722802
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CID 135401776
CID 135473046
CID 135473046
CID 135869420
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CID 1433582
CID 1433582
CID 1433583
CID 1433583
CID 6620190
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CID 3242334
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CID 3243545
CID 3243545

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 650328) is 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HUVFRQVQOPSCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c24-17-6-8-18(9-7-17)27-10-12-28(13-11-27)21(31)15-29-16-25-22-20(23(29)32)14-26-30(22)19-4-2-1-3-5-19/h1-9,14,16H,10-13,15H2.
What are the key properties of 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 432.46 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 650328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).