1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one

C23H23FN4O3 — CID 51932166

IUPAC1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)c1ccccc1OC[C@H](O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O
InChIInChI=1S/C23H23FN4O3/c1-15(2)19-5-3-4-6-21(19)31-13-18(29)12-27-14-25-22-20(23(27)30)11-26-28(22)17-9-7-16(24)8-10-17/h3-11,14-15,18,29H,12-13H2,1-2H3/t18-/m1/s1
InChIKeyUVQMNISEDIIFSV-GOSISDBHSA-N
MW422.46 g/mol
LogP3.28
Rot. Bonds7

About 1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one

1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 51932166) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID51932166
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)c1ccccc1OC[C@H](O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O
InChIInChI=1S/C23H23FN4O3/c1-15(2)19-5-3-4-6-21(19)31-13-18(29)12-27-14-25-22-20(23(27)30)11-26-28(22)17-9-7-16(24)8-10-17/h3-11,14-15,18,29H,12-13H2,1-2H3/t18-/m1/s1
InChIKeyUVQMNISEDIIFSV-GOSISDBHSA-N
XLogP3.28
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 51932166) is 1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one is CC(C)c1ccccc1OC[C@H](O)Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O.
What is the InChIKey of 1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UVQMNISEDIIFSV-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-15(2)19-5-3-4-6-21(19)31-13-18(29)12-27-14-25-22-20(23(27)30)11-26-28(22)17-9-7-16(24)8-10-17/h3-11,14-15,18,29H,12-13H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 422.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 51932166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).