5-[(3-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one

C18H19FN4O2 — CID 153471531

IUPAC5-[(3-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2C2CCOCC2)c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C18H19FN4O2/c1-12-21-17-16(10-20-23(17)15-5-7-25-8-6-15)18(24)22(12)11-13-3-2-4-14(19)9-13/h2-4,9-10,15H,5-8,11H2,1H3
InChIKeyVACQVANOFNLZEL-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.44
Rot. Bonds3

About 5-[(3-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one

5-[(3-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 153471531) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID153471531
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC Name5-[(3-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2C2CCOCC2)c(=O)n1Cc1cccc(F)c1
InChIInChI=1S/C18H19FN4O2/c1-12-21-17-16(10-20-23(17)15-5-7-25-8-6-15)18(24)22(12)11-13-3-2-4-14(19)9-13/h2-4,9-10,15H,5-8,11H2,1H3
InChIKeyVACQVANOFNLZEL-UHFFFAOYSA-N
XLogP2.44
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-Benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CID 135566500
6-[(3s,4s)-1-Benzyl-4-Methylpyrrolidin-3-Yl]-1-(1-Methylethyl)-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 135566501
6-[(3S,4S)-1-(4-fluorobenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886489
6-Benzyl-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135908600
6-[2-(3-Fluorophenyl)ethyl]-1-methyl-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 132258853
6-[(E)-2-(3-fluorophenyl)ethenyl]-1-methyl-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 132259538
5-Benzyl-6-[(3-fluorophenyl)methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 132259755
trans-6-(1-benzyl-4-methylpyrrolidin-3-yl)-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135875901
PDE-9 inhibitor
CID 135886459
6-[(3S,4S)-1-(3-fluorobenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886483
6-[(3S,4S)-1-benzyl-4-ethylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886491
6-[(3S,4S)-1-(2-fluorobenzyl)-4-methylpyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135886495

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(3-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one (CID 153471531) is 5-[(3-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(3-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(3-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(cnn2C2CCOCC2)c(=O)n1Cc1cccc(F)c1.
What is the InChIKey of 5-[(3-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is VACQVANOFNLZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-12-21-17-16(10-20-23(17)15-5-7-25-8-6-15)18(24)22(12)11-13-3-2-4-14(19)9-13/h2-4,9-10,15H,5-8,11H2,1H3.
What are the key properties of 5-[(3-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one?
5-[(3-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 342.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 153471531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).