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

C24H25FN4O3 — CID 25484583

IUPAC1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(C(C)C)c(OC[C@H](O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C24H25FN4O3/c1-15(2)20-9-4-16(3)10-22(20)32-13-19(30)12-28-14-26-23-21(24(28)31)11-27-29(23)18-7-5-17(25)6-8-18/h4-11,14-15,19,30H,12-13H2,1-3H3/t19-/m1/s1
InChIKeyPNHGZIDUOSMTKG-LJQANCHMSA-N
MW436.49 g/mol
LogP3.59
Rot. Bonds7

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

1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 25484583) has the molecular formula C24H25FN4O3 and a molecular weight of 436.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID25484583
Molecular FormulaC24H25FN4O3
Molecular Weight436.49 g/mol
Exact Mass436.19
IUPAC Name1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(C(C)C)c(OC[C@H](O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1
InChIInChI=1S/C24H25FN4O3/c1-15(2)20-9-4-16(3)10-22(20)32-13-19(30)12-28-14-26-23-21(24(28)31)11-27-29(23)18-7-5-17(25)6-8-18/h4-11,14-15,19,30H,12-13H2,1-3H3/t19-/m1/s1
InChIKeyPNHGZIDUOSMTKG-LJQANCHMSA-N
XLogP3.59
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.59
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-(5-methyl-2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 25484583) is 1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(5-methyl-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-(5-methyl-2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(C(C)C)c(OC[C@H](O)Cn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PNHGZIDUOSMTKG-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25FN4O3/c1-15(2)20-9-4-16(3)10-22(20)32-13-19(30)12-28-14-26-23-21(24(28)31)11-27-29(23)18-7-5-17(25)6-8-18/h4-11,14-15,19,30H,12-13H2,1-3H3/t19-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-5-[(2R)-2-hydroxy-3-(5-methyl-2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 436.49 g/mol, XLogP of 3.59, 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-(5-methyl-2-propan-2-ylphenoxy)propyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 25484583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).