1-(4-fluorophenyl)-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one

C17H12FN5O — CID 3241205

IUPAC1-(4-fluorophenyl)-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cc1cccnc1
InChIInChI=1S/C17H12FN5O/c18-13-3-5-14(6-4-13)23-16-15(9-21-23)17(24)22(11-20-16)10-12-2-1-7-19-8-12/h1-9,11H,10H2
InChIKeyKMWLHPDASWYWCD-UHFFFAOYSA-N
MW321.32 g/mol
LogP2.16
Rot. Bonds3

About 1-(4-fluorophenyl)-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one

1-(4-fluorophenyl)-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 3241205) has the molecular formula C17H12FN5O and a molecular weight of 321.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID3241205
Molecular FormulaC17H12FN5O
Molecular Weight321.32 g/mol
Exact Mass321.10
IUPAC Name1-(4-fluorophenyl)-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cc1cccnc1
InChIInChI=1S/C17H12FN5O/c18-13-3-5-14(6-4-13)23-16-15(9-21-23)17(24)22(11-20-16)10-12-2-1-7-19-8-12/h1-9,11H,10H2
InChIKeyKMWLHPDASWYWCD-UHFFFAOYSA-N
XLogP2.16
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.32
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(4-fluorophenyl)-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 3241205) is 1-(4-fluorophenyl)-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccc(F)cc3)c2ncn1Cc1cccnc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KMWLHPDASWYWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O/c18-13-3-5-14(6-4-13)23-16-15(9-21-23)17(24)22(11-20-16)10-12-2-1-7-19-8-12/h1-9,11H,10H2.
What are the key properties of 1-(4-fluorophenyl)-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-(4-fluorophenyl)-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 321.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 3241205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).