6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C20H16FN5O2 — CID 137271985

IUPAC6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CC(O)(c3ccc(F)cc3)C2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H16FN5O2/c21-14-8-6-13(7-9-14)20(28)11-25(12-20)19-23-17-16(18(27)24-19)10-22-26(17)15-4-2-1-3-5-15/h1-10,28H,11-12H2,(H,23,24,27)
InChIKeyILQGDCPGAKWBNL-UHFFFAOYSA-N
MW377.38 g/mol
LogP1.96
Rot. Bonds3

About 6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137271985) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137271985
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CC(O)(c3ccc(F)cc3)C2)nc2c1cnn2-c1ccccc1
InChIInChI=1S/C20H16FN5O2/c21-14-8-6-13(7-9-14)20(28)11-25(12-20)19-23-17-16(18(27)24-19)10-22-26(17)15-4-2-1-3-5-15/h1-10,28H,11-12H2,(H,23,24,27)
InChIKeyILQGDCPGAKWBNL-UHFFFAOYSA-N
XLogP1.96
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-6-piperazin-1-yl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991240
6-[(3S)-3-hydroxypiperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136757975
6-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136757977
6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137266314
6-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137258334
6-[4-(3,5-dimethoxyphenyl)-1,4-diazepan-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166217841
6-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137269886
6-[4-[(3,4-difluorophenyl)methylidene]piperidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137266330
6-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136934134
6-(2-oxopiperidin-1-yl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136991244
1-tert-butyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264543
1-methyl-6-(4-phenylpiperazin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 141390559

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137271985) is 6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]c(N2CC(O)(c3ccc(F)cc3)C2)nc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is ILQGDCPGAKWBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c21-14-8-6-13(7-9-14)20(28)11-25(12-20)19-23-17-16(18(27)24-19)10-22-26(17)15-4-2-1-3-5-15/h1-10,28H,11-12H2,(H,23,24,27).
What are the key properties of 6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 377.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)-3-hydroxyazetidin-1-yl]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137271985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).